Green gold of the Pacific: unlocking compounds from terrestrial flora for antitumor and immunomodulatory drug discovery

Paul Huchedé, Vincent Dumontet and Mariko Matsui

Nat. Prod. Rep., 2026
DOI: 10.1039/D5NP00073D

Novel multitarget-labeled molecular networking for exploring pharmacodynamic compounds of traditional Chinese medicine formulae: a case study of Zhu-Ling decoction

Xianxian Li, Jiamu Ma, Yuan Zheng, Xueyang Ren, Wanzhu Wang, Yun Zhang, Shufan Yao, Jianling Yao, Feng Zhang, Yu Cao, Yongqi Yang, Yuqing Yang, Letian Ying, Yan Zhang, Qingqing Song and Gaimei She

Anal. Methods, 2025, 17, 7704
DOI: 10.1039/D5AY00772K

Research progress of meliaceous limonoids from 2011 to 2021

Jun Luo, Yunpeng Sun, Qiurong Li and Lingyi Kong

Nat. Prod. Rep., 2022, 39, 1325
DOI: 10.1039/D2NP00015F

The chemistry of mavacurane alkaloids: a rich source of bis-indole alkaloids

Audrey Mauger, Maxime Jarret, Cyrille Kouklovsky, Erwan Poupon, Laurent Evanno and Guillaume Vincent

Nat. Prod. Rep., 2021, 38, 1852
DOI: 10.1039/D0NP00088D

Advancements in capturing and mining mass spectrometry data are transforming natural products research

Scott A. Jarmusch, Justin J. J. van der Hooft, Pieter C. Dorrestein and Alan K. Jarmusch

Nat. Prod. Rep., 2021, 38, 2066
DOI: 10.1039/D1NP00040C

Current and emerging tools and strategies for the identification of bioactive natural products in complex mixtures

Manon Meunier, Andreas Schinkovitz and Séverine Derbré

Nat. Prod. Rep., 2024, 41, 1766
DOI: 10.1039/D4NP00006D

The role ofCaenorhabditis elegansin the discovery of natural products for healthy aging

Benjamin Kirchweger, Julia Zwirchmayr, Ulrike Grienke and Judith M. Rollinger

Nat. Prod. Rep., 2023, 40, 1849
DOI: 10.1039/D3NP00021D

In situnet fishing of α-glucosidase inhibitors from evening primrose (Oenothera biennis) defatted seeds by combination of LC-MS/MS, molecular networking, affinity-based ultrafiltration, and molecular docking

Zhiqiang Wang, Yuxian Zhang and Hongyuan Yan

Food Funct., 2022, 13, 2545
DOI: 10.1039/D1FO03975J

Combined prioritization and dereplication-based rapid identification of new 8-alkylated coumarins: podurins A and B from the leaves of Murraya paniculata and cytotoxic evaluation

Sanju Kumari, Vaishali Saini, Sanheeta Chakrabarty, Sanjay Kumar, Hem Chandra Jha, Jac Fredo Agastinose Ronickom, Sanjeev Kumar and Shreyans K. Jain

New J. Chem., 2025, 49, 4842
DOI: 10.1039/D4NJ05468G

Machine learning-assisted structure annotation of natural products based on MS and NMR data

Guilin Hu and Minghua Qiu

Nat. Prod. Rep., 2023, 40, 1735
DOI: 10.1039/D3NP00025G

Pyrrovobasine, hybrid alkylated pyrraline monoterpene indole alkaloid pseudodimer discovered using a combination of mass spectral and NMR-based machine learning annotations

Hugues Fouotsa, Pierre Mkounga, Alain Meli Lannang, Jérôme Vanheuverzwijn, Zhiyu Zhou, Karine Leblanc, Somia Rharrabti, Augustin Ephrem Nkengfack, Jean-François Gallard, Véronique Fontaine, Franck Meyer, Erwan Poupon, Pierre Le Pogam and Mehdi A. Beniddir

Org. Biomol. Chem., 2022, 20, 98
DOI: 10.1039/D1OB01791H

Isolation of cytotoxic daphnane-type and tigliane-type diterpenoids from Daphne genkwa using MetGem software

Si-Hui Mi, Zhi-Kang Duan, Yu-Jue Wang, Shu-Hui Dong, Peng Zhao, Guo-Dong Yao, Qing-Bo Liu, Bin Lin, Shao-Jiang Song and Xiao-Xiao Huang

New J. Chem., 2023, 47, 1517
DOI: 10.1039/D2NJ05276H

Advances in decomposing complex metabolite mixtures using substructure- and network-based computational metabolomics approaches

Mehdi A. Beniddir, Kyo Bin Kang, Grégory Genta-Jouve, Florian Huber, Simon Rogers and Justin J. J. van der Hooft

Nat. Prod. Rep., 2021, 38, 1967
DOI: 10.1039/D1NP00023C

Metabolomics and genomics in natural products research: complementary tools for targeting new chemical entities

Lindsay K. Caesar, Rana Montaser, Nancy P. Keller and Neil L. Kelleher

Nat. Prod. Rep., 2021, 38, 2041
DOI: 10.1039/D1NP00036E

Integrative omics approaches for biosynthetic pathway discovery in plants

Kumar Saurabh Singh, Justin J. J. van der Hooft, Saskia C. M. van Wees and Marnix H. Medema

Nat. Prod. Rep., 2022, 39, 1876
DOI: 10.1039/D2NP00032F

Molecular networking-based for the target discovery of potent antiproliferative polycyclic macrolactam ansamycins from Streptomyces cacaoi subsp. asoensis

Ling-Li Liu, Zhi-Fan Chen, Yao Liu, Dan Tang, Hua-Hua Gao, Qiang Zhang and Jin-Ming Gao

Org. Chem. Front., 2020, 7, 4008
DOI: 10.1039/D0QO00557F

Integrated molecular networking strategy enhance the accuracy and visualization of components identification: A case study of Ginkgo biloba leaf extract

Yongyi Li, Zhirong Cui, Ying Li, Juanjuan Gao, Rong Tao, Jixin Li, Yi Li and Jun Luo

Journal of Pharmaceutical and Biomedical Analysis, 2022, 209, 114523
DOI: 10.1016/j.jpba.2021.114523

Computational Metabolomics Tools Reveal Subarmigerides, Unprecedented Linear Peptides from the Marine Sponge Holobiont Callyspongia subarmigera

Andrea Castaldi, Roberta Teta, Germana Esposito, Mehdi Beniddir, Nicole De Voogd, Sébastien Duperron, Valeria Costantino and Marie-Lise Bourguet-Kondracki

Marine Drugs, 2022, 20, 673
DOI: 10.3390/md20110673

Democratized Discovery of Microsclerodermin F as an Immunophilin Ligand

Manfred Auer, Malcolm D. Walkinshaw, Jacqueline Dornan, Nhan T. Pham, Xinru Xue, Miaomiao Liu, Ronald J. Quinn, Eric M. Ross, Abimael D. Rodríguez and James J. La Clair

Marine Drugs, 2025, 23, 336
DOI: 10.3390/md23090336

Total cucurbitacins from Herpetospermum pedunculosum pericarp do better than Hu-lu-su-pian (HLSP) in its safety and hepatoprotective efficacy

Wen-Ya Liu, Di Xu, Zi-Yun Hu, Hui-Hui Meng, Qi Zheng, Feng-Ye Wu, Xin Feng and Jun-Song Wang

Front. Pharmacol., 2024, 15
DOI: 10.3389/fphar.2024.1344983

Anticipate, Target and Characterize: MS²-anticipated C-glycosylflavones from Erythrococca anomala

Tapé Kouamé, Timothée Okpekon, Nicaise F. Bony, Solenn Ferron, David Bonnaffé, Jérôme Vanheuverzwijn, Zhiyu Zhou, Véronique Fontaine, Amon Diane N’Tamon, Jean-François Gallard, Karine Leblanc, Jean-Christophe Jullian, Corto Miel, Pierre Champy, Mehdi A. Beniddir and Pierre Le Pogam

Planta Medica International Open, 2021, 8, e131
DOI: 10.1055/a-1576-4351

In Silico Anticipation of Metabolic Pathways Extended to Organic Chemistry Reactions: A Case Study with Caffeine Alkaline Hydrolysis and The Origin of Camellimidazoles

Victor Turpin, Mehdi A. Beniddir, Grégory Genta‐Jouve, Adam Skiredj, Jean‐François Gallard, Karine Leblanc, Pierre Le Pogam and Erwan Poupon

Chemistry A European J, 2020, 26, 12936
DOI: 10.1002/chem.202002196

An LC‐MS Based Metabolomic Approach Coupled With Bioassay‐Guided Fractionation to Identifying Bioactive Biflavonoids From Selaginella Willdenowii

Sutthida Wongsuwan, Watthanachai Jumpathong, Jaruwan Chatwichien, Wanlaya Thamnarak, Lukana Ngiwsara, Kriengsak Lirdprapamongkol, Jisnuson Svasti, Somsak Ruchirawat and Nopporn Thasana

Chemistry An Asian Journal, 2025, 20
DOI: 10.1002/asia.202500713

Exploration by molecular networking of Strychnos alkaloids reveals the unexpected occurrence of strychnine in seven Strychnos species

Olivier Bonnet, Mehdi A. Beniddir, Pierre Champy, Védaste Kagisha, Alain Nyirimigabo, Carla Hamann, Giorgi Jgerenaia, Allison Ledoux, Alembert Tiabou Tchinda, Luc Angenot and Michel Frédérich

Toxicon, 2022, 215, 57
DOI: 10.1016/j.toxicon.2022.06.002

High-Resolution Mass Spectrometric Profiling of Stormwater in an Australian Creek

Pradeep Dewapriya, Nikolaos Rousis, Cassandra Rauert, Nikolaos S. Thomaidis and Kevin V. Thomas

ACS EST Water, 2023, 3, 2502
DOI: 10.1021/acsestwater.3c00119

New Benthic Cyanobacteria from Guadeloupe Mangroves as Producers of Antimicrobials

Sébastien Duperron, Mehdi A. Beniddir, Sylvain Durand, Arlette Longeon, Charlotte Duval, Olivier Gros, Cécile Bernard and Marie-Lise Bourguet-Kondracki

Marine Drugs, 2019, 18, 16
DOI: 10.3390/md18010016

MS2DeepScore: a novel deep learning similarity measure to compare tandem mass spectra

Florian Huber, Sven van der Burg, Justin J. J. van der Hooft and Lars Ridder

J Cheminform, 2021, 13
DOI: 10.1186/s13321-021-00558-4

Curvularin derivatives from hydrothermal vent sediment fungus Penicillium sp. HL-50 guided by molecular networking and their anti-inflammatory activity

Chunxue Yu, Zixuan Xia, Zhipeng Xu, Xiyang Tang, Wenjuan Ding, Jihua Wei, Danmei Tian, Bin Wu and Jinshan Tang

Chinese Journal of Natural Medicines, 2025, 23, 119
DOI: 10.1016/S1875-5364(25)60803-X

Phenylpropane as an Alternative Dearomatizing Unit of Indoles: Discovery of Inaequalisines A and B Using Substructure-Informed Molecular Networking

Gaëla Cauchie, Elvis Otogo N’Nang, Justin J. J. van der Hooft, Pierre Le Pogam, Guillaume Bernadat, Jean-François Gallard, Brice Kumulungui, Pierre Champy, Erwan Poupon and Mehdi A. Beniddir

Org. Lett., 2020, 22, 6077
DOI: 10.1021/acs.orglett.0c02153

Rapid recognition and targeted isolation of potential anti‐breast cancer xanthones in Hypericum bellum Li by “seed” mass spectra‐based molecular networking and in silico MS/MS fragmentation

Hong‐bing Sun, Rui Song, Bing Xia, Quan‐wei Xiao, Yu‐cheng Gu and Yan Zhou

Phytochemical Analysis, 2023, 34, 548
DOI: 10.1002/pca.3235

Mass Spectrometry-Based Network Analysis Reveals New Insights Into the Chemodiversity of 28 Species in Aspergillus section Flavi

Xinhui Wang, Karolina Subko, Sara Kildgaard, Jens C. Frisvad and Thomas O. Larsen

Front. Fungal Biol., 2021, 2
DOI: 10.3389/ffunb.2021.719420

Ethnobotany and the Role of Plant Natural Products in Antibiotic Drug Discovery

Gina Porras, François Chassagne, James T. Lyles, Lewis Marquez, Micah Dettweiler, Akram M. Salam, Tharanga Samarakoon, Sarah Shabih, Darya Raschid Farrokhi and Cassandra L. Quave

Chem. Rev., 2021, 121, 3495
DOI: 10.1021/acs.chemrev.0c00922

The Potential Biocontrol Agent Paenibacillus polymyxa TP3 Produces Fusaricidin-Type Compounds Involved in the Antagonism Against Gray Mold Pathogen Botrytis cinerea

Shuen-Huang Tsai, Yu-Ting Chen, Yu-Liang Yang, Bo-Yi Lee, Chien-Jui Huang and Chao-Ying Chen

Phytopathology®, 2022, 112, 775
DOI: 10.1094/PHYTO-04-21-0178-R

Fungal Polyketides with Three Distinctive Ring Skeletons from the Fungus Penicillium canescens Uncovered by OSMAC and Molecular Networking Strategies

Yi Zang, Yihua Gong, Jiaojiao Gong, Junjun Liu, Chunmei Chen, Lianghu Gu, Yuan Zhou, Jianping Wang, Hucheng Zhu and Yonghui Zhang

J. Org. Chem., 2020, 85, 4973
DOI: 10.1021/acs.joc.0c00147

Discovery of anti-SARS-CoV-2 secondary metabolites from the heartwood of Pterocarpus santalinus using multi-informative molecular networking

Andreas Wasilewicz, Julia Zwirchmayr, Benjamin Kirchweger, Denisa Bojkova, Jindrich Cinatl, Holger F. Rabenau, Judith M. Rollinger, Mehdi A. Beniddir and Ulrike Grienke

Front. Mol. Biosci., 2023, 10
DOI: 10.3389/fmolb.2023.1202394

Genome Mining, Microbial Interactions, and Molecular Networking Reveals New Dibromoalterochromides from Strains of Pseudoalteromonas of Coiba National Park-Panama

Librada A. Atencio, Cristopher A. Boya P., Christian Martin H., Luis C. Mejía, Pieter C. Dorrestein and Marcelino Gutiérrez

Marine Drugs, 2020, 18, 456
DOI: 10.3390/md18090456

Metabolomic Profiling of Iris palaestina via Molecular Networking and Its Anti-Diabetic Potential

Ayman Turk, Khodr Addam, Bang Yeon Hwang and Mi Kyeong Lee

Molecules, 2025, 30, 2509
DOI: 10.3390/molecules30122509

Unveiling antiplasmodial alkaloids from a cumulative collection of Strychnos extracts by multi-informative molecular networks

Olivier Bonnet, Mehdi A. Beniddir, Pierre Champy, Gilles Degotte, Lúcia Mamede, Pauline Desdemoustier, Allison Ledoux, Alembert Tiabou Tchinda, Luc Angenot and Michel Frédérich

Front. Mol. Biosci., 2022, 9
DOI: 10.3389/fmolb.2022.967012

Accramycin A, A New Aromatic Polyketide, from the Soil Bacterium, Streptomyces sp. MA37

Fleurdeliz Maglangit, Qing Fang, Valentin Leman, Sylvia Soldatou, Rainer Ebel, Kwaku Kyeremeh and Hai Deng

Molecules, 2019, 24, 3384
DOI: 10.3390/molecules24183384

Open access repository-scale propagated nearest neighbor suspect spectral library for untargeted metabolomics

Wout Bittremieux, Nicole E. Avalon, Sydney P. Thomas, Sarvar A. Kakhkhorov, Alexander A. Aksenov, Paulo Wender P. Gomes, Christine M. Aceves, Andrés Mauricio Caraballo-Rodríguez, Julia M. Gauglitz, William H. Gerwick, Tao Huan, Alan K. Jarmusch, Rima F. Kaddurah-Daouk, Kyo Bin Kang, Hyun Woo Kim, Todor Kondić, Helena Mannochio-Russo, Michael J. Meehan, Alexey V. Melnik, Louis-Felix Nothias, Claire O’Donovan, Morgan Panitchpakdi, Daniel Petras, Robin Schmid, Emma L. Schymanski, Justin J. J. van der Hooft, Kelly C. Weldon, Heejung Yang, Shipei Xing, Jasmine Zemlin, Mingxun Wang and Pieter C. Dorrestein

Nat Commun, 2023, 14
DOI: 10.1038/s41467-023-44035-y

Targeting a distinct binding pocket in the pregnane X receptor with natural agonist TRLW-2 ameliorates murine ulcerative colitis

Shangrui Rao, Yi Mei, Lingyan Shi, Hongzheng Li, Minyu Zhou, Ziyu Meng, Zhijie Zhao, Shaotang Li, Weijian Sun and Qiang Tian

Front. Pharmacol., 2025, 16
DOI: 10.3389/fphar.2025.1726597

Cheminformatics and artificial intelligence for accelerating agrochemical discovery

Yannick Djoumbou-Feunang, Jeremy Wilmot, John Kinney, Pritam Chanda, Pulan Yu, Avery Sader, Max Sharifi, Scott Smith, Junjun Ou, Jie Hu, Elizabeth Shipp, Dirk Tomandl and Siva P. Kumpatla

Front. Chem., 2023, 11
DOI: 10.3389/fchem.2023.1292027

Combining Feature-Based Molecular Networking and Contextual Mass Spectral Libraries to Decipher Nutrimetabolomics Profiles

Lapo Renai, Marynka Ulaszewska, Fulvio Mattivi, Riccardo Bartoletti, Massimo Del Bubba and Justin J. J. van der Hooft

Metabolites, 2022, 12, 1005
DOI: 10.3390/metabo12101005

Molecular networking: An efficient tool for discovering and identifying natural products

Yongjian Wang, Yadan Wang, Zhongmou Zhang, Kailing Xu, Qiufang Fang, Xianfu Wu and Shuangcheng Ma

Journal of Pharmaceutical and Biomedical Analysis, 2025, 259, 116741
DOI: 10.1016/j.jpba.2025.116741

An Interpretable Screening Approach Derived Through XGBoost Regression for the Discovery of Hypolipidemic Contributors in Chinese Hawthorn Leaf and its Counterfeit Malus Doumeri Leaf

Zhen Li, Yuan Du, Chen Ding, Pufan Yang, Lin Wang and Yan Zhao

Plant Foods Hum Nutr, 2024, 79, 209
DOI: 10.1007/s11130-024-01148-z

Feature-Based Molecular Networking for the Targeted Identification of Gq-Inhibiting FR900359 Derivatives

Wiebke Hanke, Julian Patt, Judith Alenfelder, Jan H. Voss, Mitja M. Zdouc, Stefan Kehraus, Jung Bong Kim, Goran V. Grujičić, Vigneshwaran Namasivayam, Raphael Reher, Christa E. Müller, Evi Kostenis, Max Crüsemann and Gabriele M. König

J. Nat. Prod., 2021, 84, 1941
DOI: 10.1021/acs.jnatprod.1c00194

Interest of molecular networking in fundamental, clinical and forensic toxicology: A state-of-the-art review

Thomas Gicquel, Romain Pelletier, Alexis Bourdais, Pierre-Jean Ferron, Isabelle Morel, Pierre-Marie Allard and Brendan Le Daré

TrAC Trends in Analytical Chemistry, 2024, 172, 117547
DOI: 10.1016/j.trac.2024.117547

Advances in natural product discovery: strategies, technologies, and insights

Buddha Bahadur Basnet, Zhen-Yi Zhou, Rajesh Basnet, Bin Wei and Hong Wang

Nat. Prod. Bioprospect., 2026, 16
DOI: 10.1007/s13659-025-00556-1

AnnoSM: An Automated Annotation Tool for Determining the Substituent Modes on the Parent Skeleton Based on a Characteristic MS/MS Fragment Ion Library

Xing Wang, An-qi Guo, Rui Wang, Wen Gao and Hua Yang

Anal. Chem., 2024, 96, 3817
DOI: 10.1021/acs.analchem.3c04946

Annotation and Identification of Phytochemicals from Eleusine indica Using High-Performance Liquid Chromatography Tandem Mass Spectrometry: Databases-Driven Approach

Nur Syahirah Mad Sukor, Zikry Hamizan Md Zakri, Nurulfazlina Edayah Rasol and Fatimah Salim

Molecules, 2023, 28, 3111
DOI: 10.3390/molecules28073111

Recent advances in proteomics and metabolomics in plants

Shijuan Yan, Ruchika Bhawal, Zhibin Yin, Theodore W. Thannhauser and Sheng Zhang

Mol Horticulture, 2022, 2
DOI: 10.1186/s43897-022-00038-9

Innovative molecular networking analysis of steroids and characterisation of the urinary steroidome

Ting Chen, Justine Massias, Samuel Bertrand, Yann Guitton, Bruno Le Bizec and Gaud Dervilly

Sci Data, 2024, 11
DOI: 10.1038/s41597-024-03599-0

Modern Approaches to the Separation and Purification of Natural Products

Çiğdem Bilgi and Nilay Karahan

Hacettepe Journal of Biology and Chemistry, 2025, 53, 61
DOI: 10.15671/hjbc.1527647

Targeted Discovery of Amantamide B, an Ion Channel Modulating Nonapeptide from a South China Sea Oscillatoria Cyanobacterium

Te Li, Chuchu Xi, Yiyi Yu, Ning Wang, Xiao Wang, Arihiro Iwasaki, Fang Fang, Lijian Ding, Shuang Li, Weiyan Zhang, Ye Yuan, Tingting Wang, Xiaojun Yan, Shan He, Zhengyu Cao and C. Benjamin Naman

J. Nat. Prod., 2022, 85, 493
DOI: 10.1021/acs.jnatprod.1c00983

Baldwin and Whitehead’s Manzamine Alkaloids Biosynthesis Hypothesis Involves a Finely Tuned Reactivity of Acrolein: Automated Extraction of Reactivity Patterns from LC-MS2 Data

Axel Leblond, Alexandre Nguyen, Charlotte Alcover, Karine Leblanc, Jean-François Gallard, Delphine Joseph, Erwan Poupon and Mehdi A. Beniddir

Org. Lett., 2024, 26, 2163
DOI: 10.1021/acs.orglett.4c00194

Identification of tyrosinase inhibitors in defatted seeds of evening primrose (Oenothera biennis L.) by affinity-labeled molecular networking

Zhiqiang Wang, Mingfan Cui, Hao Wang, Lei Ma, Yehong Han, Dandan Han and Hongyuan Yan

Food Research International, 2024, 180, 114097
DOI: 10.1016/j.foodres.2024.114097

Molecular networking based dereplication of AChE inhibitory compounds from the medicinal plant Vincetoxicum funebre (Boiss. & Kotschy)

Mahdi Abbas-Mohammadi, Mahdi Moridi Farimani, Peyman Salehi, Samad Nejad Ebrahimi, Ali Sonboli, Celine Kelso and Danielle Skropeta

Journal of Biomolecular Structure and Dynamics, 2022, 40, 1942
DOI: 10.1080/07391102.2020.1834455

Mass spectral database-based methodologies for the annotation and discovery of natural products

Fengyao Yang, Zeyuan Liang, Haoran Zhao, Jiayi Zheng, Lifang Liu, Huipeng Song and Guizhong Xin

Chinese Journal of Natural Medicines, 2025, 23, 410
DOI: 10.1016/S1875-5364(25)60852-1

Analysis of chemical constituents in different parts of Ribes diacanthum pall using molecular network assistance and their bioactive properties

Yuanjiang Shen, Alamusi Bayoude, Jiaxin Zhang, Lijian Liang, Akhtolkhyn Tilyek and Chengzhi Chai

Journal of Pharmaceutical and Biomedical Analysis, 2025, 262, 116901
DOI: 10.1016/j.jpba.2025.116901

Pyrenosetins A–C, New Decalinoylspirotetramic Acid Derivatives Isolated by Bioactivity-Based Molecular Networking from the Seaweed-Derived Fungus Pyrenochaetopsis sp. FVE-001

Bicheng Fan, Pradeep Dewapriya, Fengjie Li, Martina Blümel and Deniz Tasdemir

Marine Drugs, 2020, 18, 47
DOI: 10.3390/md18010047

Phytochemical and biological studies on rare and endangered plants endemic to China. Part XLVII. Sesquiterpene lactones from the leaves of Michelia opipara and their anti-inflammation effects

Jiang Wan, Xin Chen, Can Wang, Ying-Peng Tong, Yeun-Mun Choo, Xiao-Fei Shen, Yu-Feng Wang, Chun-Xiao Jiang and Jin-Feng Hu

Phytochemistry, 2026, 241, 114687
DOI: 10.1016/j.phytochem.2025.114687

Navigating through chemical space and evolutionary time across the Australian continent in plant genus Eremophila

Oliver Gericke, Rachael M. Fowler, Allison M. Heskes, Michael J. Bayly, Susan J. Semple, Chi P. Ndi, Dan Stærk, Claus J. Løland, Daniel J. Murphy, Bevan J. Buirchell and Birger Lindberg Møller

The Plant Journal, 2021, 108, 555
DOI: 10.1111/tpj.15448

Enhancing Metabolome Annotation by Electron Impact Excitation of Ions from Organics-Molecular Networking

Xinxin Wang, Xiaoshan Sun, Fubo Wang, Chunmeng Wei, Fujian Zheng, Xiuqiong Zhang, Xinjie Zhao, Chunxia Zhao, Xin Lu and Guowang Xu

Anal. Chem., 2024, 96, 1444
DOI: 10.1021/acs.analchem.3c03443

Discovery of the Caged-Vibsane Norditerpenoids with Unprecedented Chemical Architectures and Exploration of Their Various Acid Tolerances

Tian-Ming Lv, Jin-Ling Han, Qiu-Lin Yan, Bin Lin, Guo-Dong Yao, Xiao-Xiao Huang and Shao-Jiang Song

J. Org. Chem., 2023, 88, 12385
DOI: 10.1021/acs.joc.3c01115

Chaetoxylariones A–G: undescribed chromone-derived polyketides from co-culture of Chaetomium virescens and Xylaria grammica enabled via the molecular networking strategy

Sitian Zhang, Lianghu Gu, Yongtong Lin, Hanxiao Zeng, Nanjin Ding, Jiangchun Wei, Xiaoxia Gu, Chang Liu, Weiguang Sun, Yuan Zhou, Yonghui Zhang and Zhengxi Hu

Bioorganic Chemistry, 2024, 147, 107329
DOI: 10.1016/j.bioorg.2024.107329

Streamlined targeting of Amaryllidaceae alkaloids from the bulbs of Crinum scillifolium using spectrometric and taxonomically-informed scoring metabolite annotations

Amon Diane N'Tamon, Aboua Timothée Okpekon, Nicaise F. Bony, Guillaume Bernadat, Jean-François Gallard, Tapé Kouamé, Blandine Séon-Méniel, Karine Leblanc, Somia Rharrabti, Elisabeth Mouray, Philippe Grellier, Michèle Ake, N'Cho Christophe Amin, Pierre Champy, Mehdi A. Beniddir and Pierre Le Pogam

Phytochemistry, 2020, 179, 112485
DOI: 10.1016/j.phytochem.2020.112485

Unveiling the Chemical Constituents and Inhibitory Roles of Extracts from Pinus Pinea L. Nut and Nutshell: A Novel Source for Pharmaceutical Antimicrobials

Tuba Unver and Ismet Gurhan

Chemistry & Biodiversity, 2024, 21
DOI: 10.1002/cbdv.202401208

Identification of procyanidins as α-glucosidase inhibitors, pancreatic lipase inhibitors, and antioxidants from the bark of Cinnamomum cassia by multi-bioactivity-labeled molecular networking

Jun Dai, Zihan Liu, Lei Ma, Chunliu Yang, Ligai Bai, Dandan Han, Qi Song, Hongyuan Yan and Zhiqiang Wang

Food Research International, 2024, 192, 114833
DOI: 10.1016/j.foodres.2024.114833

Metabolomics and Marine Biotechnology: Coupling Metabolite Profiling and Organism Biology for the Discovery of New Compounds

Miriam Reverter, Sven Rohde, Christelle Parchemin, Nathalie Tapissier-Bontemps and Peter J. Schupp

Front. Mar. Sci., 2020, 7
DOI: 10.3389/fmars.2020.613471

Discovery of cycloheptapeptides phakefusins A−E from the marine sponge Phakellia fusca based on molecular networking

Ying Wu, Zhao-Ze Xu, Can Kong, Shuai-Shuai Zhang, Xin-Li Lin, Si Zhang, Li-Yun Liu, Fan Sun, Hou-Wen Lin and Shu-Ping Wang

Phytochemistry, 2025, 229, 114248
DOI: 10.1016/j.phytochem.2024.114248

Computational Mass Spectrometry-Based Reassessment of European Amanita sect. Phalloideae Cyclopeptidome

Adrien Jagora, Moctar Chaibou, Jean-Michel Bellanger, Pierre-Arthur Moreau, Jean-François Gallard, Thomas Charpentier, Pierre-Yves Courio, Pascal Hériveau, Sepas Sarawi, Andrea Castaldi, Marie-Lise Bourguet-Kondracki, Idrissa Moussa, Khalid Ikhiri, Guillaume van der Rest, Mehdi A. Beniddir and Pierre Le Pogam

J. Nat. Prod., 2025, 88, 2437
DOI: 10.1021/acs.jnatprod.5c00820

Natural and Pseudonatural Lindenane Heterodimers from Sarcandra glabra by Molecular Networking

Zhirong Cui, Yongyue Wang, Jixin Li, Jun Chi, Panpan Zhang, Lingyi Kong and Jun Luo

Org. Lett., 2022, 24, 9107
DOI: 10.1021/acs.orglett.2c03769

Molecules from the Microbiome

Emilee E. Shine and Jason M. Crawford

Annu. Rev. Biochem., 2021, 90, 789
DOI: 10.1146/annurev-biochem-080320-115307

Frontier studies on natural products: moving toward paradigm shifts

Jin-Xin Zhao and Jian-Min Yue

Sci. China Chem., 2023, 66, 928
DOI: 10.1007/s11426-022-1512-0

Use of molecular networking to identify 2,5-diketopiperazines in chocolates as potential markers of bean variety

Amandine André, Bettina Casty, Lisa Ullrich and Irene Chetschik

Heliyon, 2022, 8, e10770
DOI: 10.1016/j.heliyon.2022.e10770

Targeted isolation of diketopiperazines from a deep-sea derived fungus with anti-neuroinflammatory effects

Jingshuai Wu, Ying Kang, Qinyu Meng, Hongli Jia, Dong Liu, Jian Huang, Aili Fan and Wenhan Lin

Bioorganic Chemistry, 2025, 154, 108099
DOI: 10.1016/j.bioorg.2024.108099

Insight into Unprecedented Diversity of Cyanopeptides in Eutrophic Ponds Using an MS/MS Networking Approach

Andreja Kust, Klára Řeháková, Jaroslav Vrba, Vincent Maicher, Jan Mareš, Pavel Hrouzek, Maria-Cecilia Chiriac, Zdeňka Benedová, Blanka Tesařová and Kumar Saurav

Toxins, 2020, 12, 561
DOI: 10.3390/toxins12090561

Discovery of Cyanobacterial Natural Products Containing Fatty Acid Residues**

Sandra A. C. Figueiredo, Marco Preto, Gabriela Moreira, Teresa P. Martins, Kathleen Abt, André Melo, Vitor M. Vasconcelos and Pedro N. Leão

Angew Chem Int Ed, 2021, 60, 10064
DOI: 10.1002/anie.202015105

Possible mechanisms associated with immune escape and apoptosis on anti-hepatocellular carcinoma effect of Mu Ji Fang granules

Yi-Bing Zhang, Yong-Rui Bao, Shuai Wang, Tian-Jiao Li, He Tai, Jia-Peng Leng, Xin-Xin Yang, Bo-Cai Wang and Xian-Sheng Meng

World J Gastrointest Oncol, 2023, 15, 504
DOI: 10.4251/wjgo.v15.i3.504

Molecular networking unveils anti-SARS-CoV-2 constituents from traditionally used remedies

Andreas Wasilewicz, Denisa Bojkova, Mehdi A. Beniddir, Jindrich Cinatl, Holger F. Rabenau, Ulrike Grienke, Judith M. Rollinger and Benjamin Kirchweger

Journal of Ethnopharmacology, 2024, 319, 117206
DOI: 10.1016/j.jep.2023.117206

Artificial intelligence-guided discovery of anticancer lead compounds from plants and associated microorganisms

Gang Li, Ping Lin, Ke Wang, Chen-Chen Gu and Souvik Kusari

Trends in Cancer, 2022, 8, 65
DOI: 10.1016/j.trecan.2021.10.002

Novel Steroidal Saponins in Oat Identified by Molecular Networking Analysis and Their Levels in Commercial Oat Products

Changling Hu, Yao Tang, Hunter D. Snooks and Shengmin Sang

J. Agric. Food Chem., 2021, 69, 7084
DOI: 10.1021/acs.jafc.1c02728

Targeted Isolation of Rubrolides from the New Zealand Marine Tunicate Synoicum kuranui

Joe Bracegirdle, Luke J. Stevenson, Michael J. Page, Jeremy G. Owen and Robert A. Keyzers

Marine Drugs, 2020, 18, 337
DOI: 10.3390/md18070337

Untargeted and Targeted LC-MS/MS Based Metabolomics Study on In Vitro Culture of Phaeoacremonium Species

Pierluigi Reveglia, Maria Luisa Raimondo, Marco Masi, Alessio Cimmino, Genoveffa Nuzzo, Gaetano Corso, Angelo Fontana, Antonia Carlucci and Antonio Evidente

JoF, 2022, 8, 55
DOI: 10.3390/jof8010055

Molecular networking‐based dereplication of strictosidine‐derived monoterpene indole alkaloids from the curare ingredient Strychnos peckii

Carla L.G. Santos, Célio F.F. Angolini, Kidney O.G. Neves, Emmanoel V. Costa, Afonso D.L. de Souza, Maria Lúcia B. Pinheiro, Hector H.F. Koolen and Felipe M.A. da Silva

Rapid Comm Mass Spectrometry, 2020, 34
DOI: 10.1002/rcm.8683

In Vitro and In Vivo Protective Effects of Agaro-Oligosaccharides against Hydrogen Peroxide-Stimulated Oxidative Stress

Lei Wang, Xiaoting Fu, Jimin Hyun, Jiachao Xu, Xin Gao and You-Jin Jeon

Polymers, 2023, 15, 1612
DOI: 10.3390/polym15071612

Enhanced Structure-guided Molecular Networking Annotation Method for Untargeted Metabolomics Data from Orbitrap Astral Mass Spectrometer

Xinxin Wang, Yao Chen, Zaifang Li, Ziquan Fan, Rui Zhong, Tian Liu, Xiangjun Li, Xin Lu and Guowang Xu

Anal. Chem., 2025, 97, 11506
DOI: 10.1021/acs.analchem.5c00314

The Bristol Sponge Microbiome Collection: A Unique Repository of Deep-Sea Microorganisms and Associated Natural Products

Sam E. Williams, Henry L. Stennett, Catherine R. Back, Kavita Tiwari, Jorge Ojeda Gomez, Martin R. Challand, Katharine R. Hendry, James Spencer, Angela E. Essex-Lopresti, Christine L. Willis, Paul Curnow and Paul R. Race

Antibiotics, 2020, 9, 509
DOI: 10.3390/antibiotics9080509

Structures and functions of the gut microbial lipidome

Satoshi Morozumi, Masahiro Ueda, Nobuyuki Okahashi and Makoto Arita

Biochimica et Biophysica Acta (BBA) - Molecular and Cell Biology of Lipids, 2022, 1867, 159110
DOI: 10.1016/j.bbalip.2021.159110

Molecular Networking-Guided Isolation of a Phenolic Constituent from Prunus mume Seed and Its Antioxidant and Anti-Inflammatory Activities

Chang-Kwon Kim, Jayeon Yu and Mina Lee

Foods, 2023, 12, 1146
DOI: 10.3390/foods12061146

Current and future approaches for in vitro hit discovery in diabetes mellitus

Xin Zhang, Erwin Kupczyk, Philippe Schmitt-Kopplin and Constanze Mueller

Drug Discovery Today, 2022, 27, 103331
DOI: 10.1016/j.drudis.2022.07.016

Molecular Networking Assisted Discovery and Combinatorial Biosynthesis of New Antimicrobial Pleuromutilins

Cui Guo, Huanqin Dai, Mengting Zhang, Huan Liao, Rui Zhang, Baosong Chen, Junjie Han and Hongwei Liu

SSRN Journal, 2022
DOI: 10.2139/ssrn.4149497

Reproducible molecular networking of untargeted mass spectrometry data using GNPS

Allegra T. Aron, Emily C. Gentry, Kerry L. McPhail, Louis-Félix Nothias, Mélissa Nothias-Esposito, Amina Bouslimani, Daniel Petras, Julia M. Gauglitz, Nicole Sikora, Fernando Vargas, Justin J. J. van der Hooft, Madeleine Ernst, Kyo Bin Kang, Christine M. Aceves, Andrés Mauricio Caraballo-Rodríguez, Irina Koester, Kelly C. Weldon, Samuel Bertrand, Catherine Roullier, Kunyang Sun, Richard M. Tehan, Cristopher A. Boya P., Martin H. Christian, Marcelino Gutiérrez, Aldo Moreno Ulloa, Javier Andres Tejeda Mora, Randy Mojica-Flores, Johant Lakey-Beitia, Victor Vásquez-Chaves, Yilue Zhang, Angela I. Calderón, Nicole Tayler, Robert A. Keyzers, Fidele Tugizimana, Nombuso Ndlovu, Alexander A. Aksenov, Alan K. Jarmusch, Robin Schmid, Andrew W. Truman, Nuno Bandeira, Mingxun Wang and Pieter C. Dorrestein

Nat Protoc, 2020, 15, 1954
DOI: 10.1038/s41596-020-0317-5

Building Natural Product Libraries Using Quantitative Clade-Based and Chemical Clustering Strategies

Victoria M. Anderson, Karen L. Wendt, Fares Z. Najar, Laura-Isobel McCall, Robert H. Cichewicz and Marcelino Gutierrez

mSystems, 2021, 6
DOI: 10.1128/msystems.00644-21

Discovery of New Cytotoxic Aplaminone Derivatives from the Sea Hare Aplysia kurodai and Elucidation of Their Accumulation from Local Sea Algae through the Food Chain

Yusuke Hioki, Tatsuya Sato, Toyoki Iwao, Junya Ikuma, Atsushi Kawamura, Takayuki Ohyoshi, Yuta Tsunematsu and Masaki Kita

Eur J Org Chem, 2023, 26
DOI: 10.1002/ejoc.202300084

Combining the Strengths of MS and NMR in Biochemometrics: A Case Study on Buddleja officinalis

Andreas Wasilewicz, Alexander Areesanan, Benjamin Kirchweger, Sven Nicolay, Eva Waltenberger, Mehdi A. Beniddir, Carsten Gründemann, Judith M. Rollinger and Ulrike Grienke

J. Nat. Prod., 2025, 88, 1099
DOI: 10.1021/acs.jnatprod.4c00847

Activity-annotated molecular networking accelerates active molecule screening from natural products

Weidong Wang, Aijing Li, Fangfang He, Jun Dai, Liangliang He and Denglang Zou

Journal of Chromatography A, 2025, 1757, 466170
DOI: 10.1016/j.chroma.2025.466170

Integrating LC‐MS/MS and Molecular Networking for Advance Analysis and Comprehensive Flavonoids Annotation

Priscillia Ann David, Anis Irfan Norazhar and Mohamad Shazeli Che Zain

J of Separation Science, 2025, 48
DOI: 10.1002/jssc.70230

Implementation of a MS/MS database for isoquinoline alkaloids and other annonaceous metabolites

Salemon Akpa Agnès, Timothée Okpekon, Yvette Affoué Kouadio, Adrien Jagora, Dimitri Bréard, Emmanoel V. Costa, Felipe M. A. da Silva, Hector H. F. Koolen, Anne-Marie Le Ray-Richomme, Pascal Richomme, Pierre Champy, Mehdi A. Beniddir and Pierre Le Pogam

Sci Data, 2022, 9
DOI: 10.1038/s41597-022-01345-y

Integration of LC/MS-based molecular networking and classical phytochemical approach allows in-depth annotation of the metabolome of non-model organisms - The case study of the brown seaweed Taonia atomaria

Nathan Carriot, Benoît Paix, Stéphane Greff, Bruno Viguier, Jean-François Briand and Gérald Culioli

Talanta, 2021, 225, 121925
DOI: 10.1016/j.talanta.2020.121925

Phytotoxic Metabolites Produced by Fungi Involved in Grapevine Trunk Diseases: Progress, Challenges, and Opportunities

Pierluigi Reveglia, Regina Billones-Baaijens and Sandra Savocchia

Plants, 2022, 11, 3382
DOI: 10.3390/plants11233382

Recent advances in bioactivity-guided drug screening strategies for pre-clinical and clinical drug discovery

Simin Chen, Chenxiao Shen, Wanyu Li, Yu Fan, Dong-Hua Yang, Yitao Wang, Ruibing Feng, Guodong Li and Zhangfeng Zhong

TrAC Trends in Analytical Chemistry, 2024, 181, 118042
DOI: 10.1016/j.trac.2024.118042

Activity labelled molecular networking fuels the antioxidation active molecules profile of Ginger

Qiqi Wang, Tao Chen, Mencuo La, Zhibo Song, Mengze Gao, Tingqin Yang, Yulin Li, Liangliang He and Denglang Zou

Food Chemistry, 2023, 424, 136343
DOI: 10.1016/j.foodchem.2023.136343

Tailored Mass Spectral Data Exploration Using the SpecXplore Interactive Dashboard

Kevin Mildau, Henry Ehlers, Ian Oesterle, Manuel Pristner, Benedikt Warth, Maria Doppler, Christoph Bueschl, Jürgen Zanghellini and Justin J. J. van der Hooft

Anal. Chem., 2024, 96, 5798
DOI: 10.1021/acs.analchem.3c04444

Harnessing the Biosynthetic Diversity of Actinomycetes: Discovery of Unique Natural Products Through Comparative Genomic and Metabolic Analysis

Yuta Kikuchi, Hayama Tsutsumi, Yoshihiro Watanabe, Hiroki Nakahara, Sho Ito, Yoshihiko Noguchi, Yuta Awano, Masanobu Kasuga, Masato Iwatsuki, Tomoyasu Hirose, Toshiaki Sunazuka and Yuki Inahashi

Chemistry A European J, 2025, 31
DOI: 10.1002/chem.202501912

Antiprotozoal Activity and Cytotoxicity Screening of Lippia adoensis (Hochst.) Extracts: Growth Inhibition of Plasmodium, Leishmania, and Trypanosoma Parasites

Eugenie Aimée Madiesse Kemgne, Mariscal Brice Tchatat Tali, Darline Dize, Cyrille Armel Njanpa Ngansop, Boniface Pone Kamdem and Fabrice Fekam Boyom

JOMA, 2025, 2, 6
DOI: 10.3390/joma2010006

Multiomics data integration, limitations, and prospects to reveal the metabolic activity of the coral holobiont

Amanda Williams

FEMS Microbiology Ecology, 2024, 100
DOI: 10.1093/femsec/fiae058

Molecular networking-guided discovery of anti-inflammatory diterpenoids from the roots of Euphorbia prolifera

Xiuli Wang, Yang Xu, Yali Wang, Lingxiao Ren, Zhiqi Zhang, Dejuan Sun, Lixia Chen and Hua Li

Phytochemistry, 2026, 247, 114842
DOI: 10.1016/j.phytochem.2026.114842

Marine drugs: Biology, pipelines, current and future prospects for production

Nicolas Papon, Brent R. Copp and Vincent Courdavault

Biotechnology Advances, 2022, 54, 107871
DOI: 10.1016/j.biotechadv.2021.107871

Molecular Networking Reveals Antioxidant Properties and Phenolic Profiles of Four Rosaceae Seeds

Mi Jeong Lim, Jinyoung Park, Min Sung Lee, Seong Yeon Choi, Heejung Yang, Taewan Kim and Chae Sun Na

Plants, 2025, 14, 3749
DOI: 10.3390/plants14243749

Species Prioritization Based on Spectral Dissimilarity: A Case Study of Polyporoid Fungal Species

Huong T. Pham, Kwang Ho Lee, Eunah Jeong, Sunmin Woo, Jinsuh Yu, Woo-Young Kim, Young Woon Lim, Ki Hyun Kim and Kyo Bin Kang

J. Nat. Prod., 2021, 84, 298
DOI: 10.1021/acs.jnatprod.0c00977

Advanced Technologies for Large Scale Supply of Marine Drugs

Henar Martínez, Mercedes Santos, Lucía Pedraza and Ana M. Testera

Marine Drugs, 2025, 23, 69
DOI: 10.3390/md23020069

Bioactivity-Guided Screening of Antimicrobial Secondary Metabolites from Antarctic Cultivable Fungus Acrostalagmus luteoalbus CH-6 Combined with Molecular Networking

Ting Shi, Xiang-Qian Li, Ze-Min Wang, Li Zheng, Yan-Yan Yu, Jia-Jia Dai and Da-Yong Shi

Marine Drugs, 2022, 20, 334
DOI: 10.3390/md20050334

Discovery of Cyanobacterial Natural Products Containing Fatty Acid Residues**

Sandra A. C. Figueiredo, Marco Preto, Gabriela Moreira, Teresa P. Martins, Kathleen Abt, André Melo, Vitor M. Vasconcelos and Pedro N. Leão

Angewandte Chemie, 2021, 133, 10152
DOI: 10.1002/ange.202015105

Molecular Networking Reveals Serpentinine-Related Bisindole Alkaloids from Picralima nitida, a Previously Well-Investigated Species

Charlotte Fox Alcover, Guillaume Bernadat, Faustin A. Kabran, Pierre Le Pogam, Karine Leblanc, Alexander E. Fox Ramos, Jean-François Gallard, Elisabeth Mouray, Philippe Grellier, Erwan Poupon and Mehdi A. Beniddir

J. Nat. Prod., 2020, 83, 1207
DOI: 10.1021/acs.jnatprod.9b01247

Recent Advances in Discovery of Lead Structures from Microbial Natural Products: Genomics- and Metabolomics-Guided Acceleration

Linda Sukmarini

Molecules, 2021, 26, 2542
DOI: 10.3390/molecules26092542

Combination of molecular network and centrifugal partition chromatography fractionation for targeting and identifying Artemisia annua L. antioxidant compounds

Souhila Messaili, Cyril Colas, Laëtitia Fougère and Emilie Destandau

Journal of Chromatography A, 2020, 1615, 460785
DOI: 10.1016/j.chroma.2019.460785

Multi-omics approaches: transforming the landscape of natural product isolation

Soumitra Sahana, Jyotirmay Sarkar, Sourav Mandal, Indranil Chatterjee, Susmita Dhar, Samaresh Datta and Sumanta Mondal

Funct Integr Genomics, 2025, 25
DOI: 10.1007/s10142-025-01645-7

Discovery of Unusual Ajmaline‐Macroline Type Bisindole Alkaloids from Alstonia macrophylla by Building Blocks‐Based Molecular Networking

Zi‐Wei Li, Chun‐Lin Fan, Biao Sun, Lan Huang, Zi‐Qi Wang, Xiao‐Jun Huang, Shi‐Qing Zhang, Wen‐Cai Ye, Zhen‐Long Wu and Xiao‐Qi Zhang

Chemistry A European J, 2024, 30
DOI: 10.1002/chem.202303519

UHPLC-ESI-QTOF-MS/MS-Based Molecular Networking Guided Isolation and Dereplication of Antibacterial and Antifungal Constituents of Ventilago denticulata

Muhaiminatul Azizah, Patcharee Pripdeevech, Tawatchai Thongkongkaew, Chulabhorn Mahidol, Somsak Ruchirawat and Prasat Kittakoop

Antibiotics, 2020, 9, 606
DOI: 10.3390/antibiotics9090606

Automatic MS/MS Data Mining Strategy for Discovering Target Natural Products: A Case of Lindenane Sesquiterpenoids

Yongyi Li, Shuai Zhao, Yunpeng Sun, Jixin Li, Yongyue Wang, Wenjun Xu, Jun Luo and Lingyi Kong

Anal. Chem., 2022, 94, 8514
DOI: 10.1021/acs.analchem.2c01559

Isolation, characterization, and bioactivity profiling of oxazoline containing madurastatin siderophores from Actinomadura sp.

Mona-K. Bill, Yolanda Kleiner, Jana L. Flügel, Michael Kurz, Marius Spohn, Michael Marner, Sanja Mihajlovic, Andreas Vilcinskas, Till F. Schäberle, Peter E. Hammann, Maria A. Patras and Sören M. M. Schuler

J Antibiot, 2022, 75, 576
DOI: 10.1038/s41429-022-00557-z

Targeting of Antifungal Metabolites from Grapevine Byproducts by UPLC–HRMS/MS Approaches Using Bioactivity-Based Molecular Networking

Charles Tardif, Caroline Rouger, Julie Miranda, Omar S. Ahmed, Florence Richard-Forget, Vessela Atanasova and Pierre Waffo-Teguo

J. Agric. Food Chem., 2024, 72, 9621
DOI: 10.1021/acs.jafc.3c09531

Fast mass spectrometry search and clustering of untargeted metabolomics data

Mihir Mongia, Tyler M. Yasaka, Yudong Liu, Mustafa Guler, Liang Lu, Aditya Bhagwat, Bahar Behsaz, Mingxun Wang, Pieter C. Dorrestein and Hosein Mohimani

Nat Biotechnol, 2024, 42, 1672
DOI: 10.1038/s41587-023-01985-4

Advanced technologies targeting isolation and characterization of natural products

Shu-Hui Dong, Zhi-Kang Duan, Ming Bai, Xiao-Xiao Huang and Shao-Jiang Song

TrAC Trends in Analytical Chemistry, 2024, 175, 117711
DOI: 10.1016/j.trac.2024.117711

Approaches, Strategies and Procedures for Identifying Anti-Inflammatory Drug Lead Molecules from Natural Products

Tenzin Jamtsho, Karma Yeshi, Matthew J. Perry, Alex Loukas and Phurpa Wangchuk

Pharmaceuticals, 2024, 17, 283
DOI: 10.3390/ph17030283

Identification of the anti-epileptic effect of speciogynine through molecular network-aided metabolite profiling of M. speciosa alkaloids using zebrafish

Suleiman Abubakar Garba, Puspanjali Swain, Khozirah Shaari, Adlin Afzan, Soo Yee Lee, Cheol-Hee Kim and Siti Munirah Mohd Faudzi

Fitoterapia, 2025, 184, 106667
DOI: 10.1016/j.fitote.2025.106667

CANPA: Computer-Assisted Natural Products Anticipation

Alexander E. Fox Ramos, Coralie Pavesi, Marc Litaudon, Vincent Dumontet, Erwan Poupon, Pierre Champy, Grégory Genta-Jouve and Mehdi A. Beniddir

Anal. Chem., 2019, 91, 11247
DOI: 10.1021/acs.analchem.9b02216

Identification and quantification of cucurbitacin in watermelon frost using molecular networking integrated with ultra‐high‐performance liquid chromatography‐tandem mass spectrometry

Guizhou Hu, Wenya Liu and Liyan Li

J of Separation Science, 2023, 46
DOI: 10.1002/jssc.202300019

Discovery of anti-inflammatory molecules from Dendrobium officinale based on activity labelled molecular networking and its alleviation effect on ulcerative colitis

Jun Dai, Weidong Wang, Fangfang He, Xiaoxiao Yu, Zenggen Liu, Yujuan Wang and Denglang Zou

Food Research International, 2025, 203, 115888
DOI: 10.1016/j.foodres.2025.115888

Revitalizing natural products for sustainable drug Discovery: Innovations bridging food bioscience and green therapeutic development

Ramachandran Chelliah, Selvakumar Vijayalakshmi, Murugan Karuvelan, Kaliyan Barathikannan, Sulav Ghimeray and Deog-Hwan Oh

Sustainable Chemistry and Pharmacy, 2025, 46, 102082
DOI: 10.1016/j.scp.2025.102082

Matrix free laser desorption ionization coupled to trapped ion mobility mass spectrometry: an innovative approach for isomer differentiation and molecular network visualization

Manon Meunier, Martina Haack, Dania Awad, Thomas Brück, Khalijah Awang, Marc Litaudon, Frédéric Saubion, Marc Legeay, Dimitri Bréard, David Guilet, Séverine Derbré and Andreas Schinkovitz

Talanta, 2025, 287, 127626
DOI: 10.1016/j.talanta.2025.127626

Identifying Missing Biosynthesis Enzymes of Plant Natural Products

Thomas Dugé de Bernonville, Nicolas Papon, Marc Clastre, Sarah E. O’Connor and Vincent Courdavault

Trends in Pharmacological Sciences, 2020, 41, 142
DOI: 10.1016/j.tips.2019.12.006

Toward an Efficient Differentiation of Two Diaporthe Strains Through Mass Spectrometry for Fungal Biotyping

Kathleen Hernández-Torres, Daniel Torres-Mendoza, Gesabel Navarro-Velasco and Luis Cubilla-Rios

CIMB, 2025, 47, 53
DOI: 10.3390/cimb47010053

UPLC-Q-TOF-MS/MS Analysis of Seco-Sativene Sesquiterpenoids to Detect New and Bioactive Analogues From Plant Pathogen Bipolaris sorokiniana

Yan-Duo Wang, Jian Yang, Qi Li, Yuan-Yuan Li, Xiang-Mei Tan, Si-Yang Yao, Shu-Bin Niu, Hui Deng, Lan-Ping Guo and Gang Ding

Front. Microbiol., 2022, 13
DOI: 10.3389/fmicb.2022.807014

Two amino acid-sesquiterpene lactone conjugates from chicory roots and their anti-inflammation activity

Xiuhua Meng, Xiaojie Huang, Yang Liu, Han Lv, Xiaoqin Ding, Tunyu Jian, Guanting Niu, Bei Tong, Bingru Ren and Jian Chen

Natural Product Research, 2025, 1
DOI: 10.1080/14786419.2025.2499917

Isolation, biosynthesis, and biological activity of rubromycins derived from actinomycetes

Ping Lin, Xue Li, Yuchen Xin, Hongying Li, Gang Li and Hongxiang Lou

Engineering Microbiology, 2022, 2, 100039
DOI: 10.1016/j.engmic.2022.100039

Chlorinated bianthrones from the cyanolichen Nephroma laevigatum

Aurélie Lagarde, Lengo Mambu, Phuong-Y. Mai, Yves Champavier, Jean-Luc Stigliani, Mehdi A. Beniddir and Marion Millot

Fitoterapia, 2021, 149, 104811
DOI: 10.1016/j.fitote.2020.104811

Combination of GC-MS Molecular Networking and Larvicidal Effect against Aedes aegypti for the Discovery of Bioactive Substances in Commercial Essential Oils

Alan Cesar Pilon, Marcelo Del Grande, Maíra R. S. Silvério, Ricardo R. Silva, Lorena C. Albernaz, Paulo Cézar Vieira, João Luis Callegari Lopes, Laila S. Espindola and Norberto Peporine Lopes

Molecules, 2022, 27, 1588
DOI: 10.3390/molecules27051588

Emerging LC-MS/MS-based molecular networking strategy facilitates foodomics to assess the function, safety, and quality of foods: recent trends and future perspectives

Wenbo Li, Zhaoquan Wu, Yijin Xu, Hongping Long, Yinhua Deng, Sanwang Li, Yang Xi, Wenqun Li, Hualin Cai, Bikui Zhang and Yikun Wang

Trends in Food Science & Technology, 2023, 139, 104114
DOI: 10.1016/j.tifs.2023.07.011

Exploring the chemodiversity of antimicrobial minalemines from Didemnum granulatum by neutral loss graph

Vítor F. Freire, Jason R. Evans, Lucero Martínez-Fructuoso, Rohitesh Kumar, Rhone K. Akee, Svetlana Hogan, Christopher C. Thornburg, Brian D. Peyser, Susan Ensel, Dongdong Wang, Tanja Grkovic and Barry R. O’Keefe

Sci Rep, 2026, 16
DOI: 10.1038/s41598-025-32070-2

Guide isolation of guaiane-type sesquiterpenoids from Daphne tangutica maxim. And their anti-inflammatory activities

Rui Guo, Zhi-Kang Duan, Qian Li, Guo-Dong Yao, Shao-Jiang Song and Xiao-Xiao Huang

Phytochemistry, 2023, 206, 113523
DOI: 10.1016/j.phytochem.2022.113523

A Nrf-2 Stimulatory Hydroxylated Cannabidiol Derivative from Hemp (Cannabis sativa)

Giuseppina Chianese, Carmina Sirignano, Emanuele Benetti, Vittoria Marzaroli, Juan A. Collado, Lauren de la Vega, Giovanni Appendino, Eduardo Muñoz and Orazio Taglialatela-Scafati

J. Nat. Prod., 2022, 85, 1089
DOI: 10.1021/acs.jnatprod.1c01198

Targeted isolation of sesquiterpene lactone dimers from Aucklandia lappa guided by LC-HRMS/MS-based molecular networking

Jae Sang Han, Jun Gu Kim, Thi Phuong Linh Le, Yong Beom Cho, Dongho Lee, Jin Tae Hong, Mi Kyeong Lee and Bang Yeon Hwang

Phytochemistry, 2023, 206, 113557
DOI: 10.1016/j.phytochem.2022.113557

Marine actinomycetes-derived angucyclines and angucyclinones with biosynthesis and activity--past 10 years (2014–2023)

Xiao Xu, Xiaofei Huang and Wenhua Xu

European Journal of Medicinal Chemistry, 2025, 283, 117161
DOI: 10.1016/j.ejmech.2024.117161

Chemical analysis by molecular networking methods on extracts of Saba senegalensis (A.DC.) Pichon (Apocynaceae) and its anthelmintic activity on Caenorhabditis elegans

Mohamed B. BELEMLILGA, Hazrina HAZNI, Aristide TRAORE, Indira DENNEMONT, Sébastien POMEL, Sandrine COJEAN, Mehdi A. BENIDDIR, Sylvin OUEDRAOGO, Christian BORIES, Philippe M. LOISEAU, Pierre CHAMPY and Innocent P. GUISSOU

Clinical Traditional Medicine and Pharmacology, 2025, 6, 200195
DOI: 10.1016/j.ctmp.2025.200195

A Reappraisal of the Structure of Lyaline as the First Naturally Occurring Nacycline Monoterpene Indole Alkaloid

Adrien Jagora, Jean-François Gallard, Mehdi A. Beniddir and Pierre Le Pogam

J. Nat. Prod., 2021, 84, 2617
DOI: 10.1021/acs.jnatprod.1c00572

Untargeted LC-MS/MS-Based Multi-Informative Molecular Networking for Targeting the Antiproliferative Ingredients in Tetradium ruticarpum Fruit

Chun-Han Su, Yu-Chieh Cheng, Yu-Chia Chang, Ting-Hsuan Kung, Yu-Li Chen, Kuei-Hung Lai, Hsi-Lung Hsieh, Chun-Yu Chen, Tsong-Long Hwang and Yu-Liang Yang

Molecules, 2022, 27, 4462
DOI: 10.3390/molecules27144462

AI/ML-driven advances in untargeted metabolomics and exposomics for biomedical applications

Lauren M. Petrick and Noam Shomron

Cell Reports Physical Science, 2022, 3, 100978
DOI: 10.1016/j.xcrp.2022.100978

Solid-Phase Extraction Embedded Dialysis (SPEED), an Innovative Procedure for the Investigation of Microbial Specialized Metabolites

Phuong-Y. Mai, Géraldine Le Goff, Erwan Poupon, Philippe Lopes, Xavier Moppert, Bernard Costa, Mehdi A. Beniddir and Jamal Ouazzani

Marine Drugs, 2021, 19, 371
DOI: 10.3390/md19070371

Metabolomics with multi-block modelling of mass spectrometry and nuclear magnetic resonance in order to discriminate Haplosclerida marine sponges

Mehdi A. Beniddir, Laurence Le Moyec, Mohamed N. Triba, Arlette Longeon, Alexandre Deville, Alain Blond, Van Cuong Pham, Nicole J. de Voogd and Marie-Lise Bourguet-Kondracki

Anal Bioanal Chem, 2022, 414, 5929
DOI: 10.1007/s00216-022-04158-5

13C-NMR-based MixONat strategy coupled with 2D NMR for rapid dereplication and identification of new secondary metabolites from Aloe vera

Tianpeng Yin, Yi Yu, Qinghua Liu, Guoyuan Zhu, Liping Bai, Wei Zhang and Zhihong Jiang

Journal of Food Composition and Analysis, 2023, 115, 104975
DOI: 10.1016/j.jfca.2022.104975

High-Throughput Mining of Novel Compounds from Known Microbes: A Boost to Natural Product Screening

Surya Meena, Anna Wajs-Bonikowska, Savita Girawale, Md Imran, Preethi Poduval and Kisan Kodam

Molecules, 2024, 29, 3237
DOI: 10.3390/molecules29133237

Planomonospora: A Metabolomics Perspective on an Underexplored Actinobacteria Genus

Mitja M. Zdouc, Marianna Iorio, Sonia I. Maffioli, Max Crüsemann, Stefano Donadio and Margherita Sosio

J. Nat. Prod., 2021, 84, 204
DOI: 10.1021/acs.jnatprod.0c00807

Sustainable Hues: Exploring the Molecular Palette of Biowaste Dyes through LC-MS Metabolomics

Ralph John Emerson J. Molino, Klidel Fae B. Rellin, Ricky B. Nellas and Hiyas A. Junio

Molecules, 2021, 26, 6645
DOI: 10.3390/molecules26216645

Targeted Isolation of Antibiotic Brominated Alkaloids from the Marine Sponge Pseudoceratina durissima Using Virtual Screening and Molecular Networking

James Lever, Florian Kreuder, Jason Henry, Andrew Hung, Pierre-Marie Allard, Robert Brkljača, Colin Rix, Aya Taki, Robin Gasser, Jan Kaslin, Donald Wlodkowic, Jean-Luc Wolfender and Sylvia Urban

Marine Drugs, 2022, 20, 554
DOI: 10.3390/md20090554

Overview of Bioactive Fungal Secondary Metabolites: Cytotoxic and Antimicrobial Compounds

Rafael Conrado, Tainah Colombo Gomes, Gabriella Sales Calaço Roque and Ana Olívia De Souza

Antibiotics, 2022, 11, 1604
DOI: 10.3390/antibiotics11111604

Chemically informed analyses of metabolomics mass spectrometry data with Qemistree

Anupriya Tripathi, Yoshiki Vázquez-Baeza, Julia M. Gauglitz, Mingxun Wang, Kai Dührkop, Mélissa Nothias-Esposito, Deepa D. Acharya, Madeleine Ernst, Justin J. J. van der Hooft, Qiyun Zhu, Daniel McDonald, Asker D. Brejnrod, Antonio Gonzalez, Jo Handelsman, Markus Fleischauer, Marcus Ludwig, Sebastian Böcker, Louis-Félix Nothias, Rob Knight and Pieter C. Dorrestein

Nat Chem Biol, 2021, 17, 146
DOI: 10.1038/s41589-020-00677-3

Ion identity molecular networking for mass spectrometry-based metabolomics in the GNPS environment

Robin Schmid, Daniel Petras, Louis-Félix Nothias, Mingxun Wang, Allegra T. Aron, Annika Jagels, Hiroshi Tsugawa, Johannes Rainer, Mar Garcia-Aloy, Kai Dührkop, Ansgar Korf, Tomáš Pluskal, Zdeněk Kameník, Alan K. Jarmusch, Andrés Mauricio Caraballo-Rodríguez, Kelly C. Weldon, Melissa Nothias-Esposito, Alexander A. Aksenov, Anelize Bauermeister, Andrea Albarracin Orio, Carlismari O. Grundmann, Fernando Vargas, Irina Koester, Julia M. Gauglitz, Emily C. Gentry, Yannick Hövelmann, Svetlana A. Kalinina, Matthew A. Pendergraft, Morgan Panitchpakdi, Richard Tehan, Audrey Le Gouellec, Gajender Aleti, Helena Mannochio Russo, Birgit Arndt, Florian Hübner, Heiko Hayen, Hui Zhi, Manuela Raffatellu, Kimberly A. Prather, Lihini I. Aluwihare, Sebastian Böcker, Kerry L. McPhail, Hans-Ulrich Humpf, Uwe Karst and Pieter C. Dorrestein

Nat Commun, 2021, 12
DOI: 10.1038/s41467-021-23953-9

Guided isolation of daphnane-type diterpenes from Daphne genkwa by molecular network strategies

Si-Hui Mi, Peng Zhao, Qian Li, Hao Zhang, Rui Guo, Yu-Yang Liu, Bin Lin, Guo-Dong Yao, Shao-Jiang Song and Xiao-Xiao Huang

Phytochemistry, 2022, 198, 113144
DOI: 10.1016/j.phytochem.2022.113144

Molecular networking as a novel approach to unravel toxin diversity of four strains of the dominant Dinophysis species from French coastal waters

Manoëlla Sibat, Damien Réveillon, Chloé Antoine, Liliane Carpentier, Georges Augustin Rovillon, Véronique Sechet and Samuel Bertrand

Harmful Algae, 2021, 103, 102026
DOI: 10.1016/j.hal.2021.102026

Cytotoxic Peptaibols from Trichoderma strigosum

Yun Seo Park, Eun-Sook Kim, Stephen T. Deyrup, Jin Woo Lee and Sang Hee Shim

J. Nat. Prod., 2024, 87, 2081
DOI: 10.1021/acs.jnatprod.4c00590

Assessing the Diversity and Biomedical Potential of Microbes Associated With the Neptune’s Cup Sponge, Cliona patera

Xin Yi Ho, Nursheena Parveen Katermeran, Lindsey Kane Deignan, Ma Yadanar Phyo, Ji Fa Marshall Ong, Jun Xian Goh, Juat Ying Ng, Karenne Tun and Lik Tong Tan

Front. Microbiol., 2021, 12
DOI: 10.3389/fmicb.2021.631445

Profiling the Philippine Blue: Liquid chromatography/mass spectrometry‐based metabolomics study on Philippine Indigofera

Ralph John Emerson J. Molino and Hiyas A. Junio

Rapid Comm Mass Spectrometry, 2021, 35
DOI: 10.1002/rcm.9037

Modern Trends in Natural Antibiotic Discovery

Anna A. Baranova, Vera A. Alferova, Vladimir A. Korshun and Anton P. Tyurin

Life, 2023, 13, 1073
DOI: 10.3390/life13051073

Diversity of secondary metabolites from marine Streptomyces with potential anti-tubercular activity: a review

Salina Patel, Lincoln Naik, Ankita Rai, Krishna Palit, Ashish Kumar, Mousumi Das, Dev Kiran Nayak, Pramathesh Kumar Dandsena, Amit Mishra, Ramandeep Singh, Rohan Dhiman and Surajit Das

Arch Microbiol, 2025, 207
DOI: 10.1007/s00203-024-04233-8

Metabolomics of Myrcia bella Populations in Brazilian Savanna Reveals Strong Influence of Environmental Factors on Its Specialized Metabolism

Luiz Leonardo Saldanha, Pierre-Marie Allard, Adlin Afzan, Fernanda Pereira de Souza Rosa de Melo, Laurence Marcourt, Emerson Ferreira Queiroz, Wagner Vilegas, Cláudia Maria Furlan, Anne Lígia Dokkedal and Jean-Luc Wolfender

Molecules, 2020, 25, 2954
DOI: 10.3390/molecules25122954

GC-TOF/MS-based metabolomics analysis to investigate the changes driven by N-Acetylcysteine in the plant-pathogen Xanthomonas citri subsp. citri

Simone Cristina Picchi, Mariana de Souza e Silva, Luiz Leonardo Saldanha, Henrique Ferreira, Marco Aurélio Takita, Camila Caldana and Alessandra Alves de Souza

Sci Rep, 2021, 11
DOI: 10.1038/s41598-021-95113-4

Structure-dependent activity of plant natural products against methicillin-resistant Staphylococcus aureus

Calisto Moreno Cardenas and Serhat S. Çiçek

Front. Microbiol., 2023, 14
DOI: 10.3389/fmicb.2023.1234115

Metabolomics and databases driven approach of identification of phytochemicals from seed of Salvia schimperi using high-performance liquid chromatography tandem mass spectrometry

M. Azene, O. O. Olaokun, B.C. Iweriebor, N.M. Mkolo, C.L. Obi, W. Shibeshi, S. Assefa, Z. Abebe, A. Habtamu, K. Baye and Mário Ferreira Conceição Santos

PLoS One, 2025, 20, e0335929
DOI: 10.1371/journal.pone.0335929

Inventa: A computational tool to discover structural novelty in natural extracts libraries

Luis-Manuel Quiros-Guerrero, Louis-Félix Nothias, Arnaud Gaudry, Laurence Marcourt, Pierre-Marie Allard, Adriano Rutz, Bruno David, Emerson Ferreira Queiroz and Jean-Luc Wolfender

Front. Mol. Biosci., 2022, 9
DOI: 10.3389/fmolb.2022.1028334

Molecular networking assisted discovery and combinatorial biosynthesis of new antimicrobial pleuromutilins

Cui Guo, Huanqin Dai, Mengting Zhang, Huan Liao, Rui Zhang, Baosong Chen, Junjie Han and Hongwei Liu

European Journal of Medicinal Chemistry, 2022, 243, 114713
DOI: 10.1016/j.ejmech.2022.114713

Liquid Chromatography–Mass Spectrometry (LC‐MS)‐Based Analysis for Lipophilic Compound Profiling in Plants

Taly Lapidot‐Cohen, Leah Rosental and Yariv Brotman

CP Plant Biology, 2020, 5
DOI: 10.1002/cppb.20109

Targeted isolation of antiviral cinnamoylphloroglucinol-terpene adducts from Cleistocalyx operculatus by building blocks-based molecular networking approach

Jianguo Song, Ruili Huang, Jialiao Cai, Zhenlong Wu, Lijun Hu, Wanyang Sun, Xiaojun Huang, Rongrong He, Wei Tang, Wencai Ye and Ying Wang

Acta Pharmaceutica Sinica B, 2024, 14, 4443
DOI: 10.1016/j.apsb.2024.04.031

Bioactivity‐based molecular networking‐guided identification of guttiferone J from Garcinia cambogia as an anti‐obesity candidate

Zheling Feng, Jiali Chen, Cheng Chen, Lu Feng, Rui Wang, Jianzhong Zhu, Ruohan Lou, Jia Liu, Yang Ye and Ligen Lin

British J Pharmacology, 2023, 180, 589
DOI: 10.1111/bph.15979

Molecular networking-guided isolation strategy of a new C-glycosyl flavone rotamer from Stellaria alsine and evaluation of anti-inflammatory and antioxidant activities

Chang-Kwon Kim, Soojung Yu and Mina Lee

Metabolomics, 2023, 19
DOI: 10.1007/s11306-023-02042-6

Metabolomic Characterization of a cf. Neolyngbya Cyanobacterium from the South China Sea Reveals Wenchangamide A, a Lipopeptide with In Vitro Apoptotic Potential in Colon Cancer Cells

Lijian Ding, Rinat Bar-Shalom, Dikla Aharonovich, Naoaki Kurisawa, Gaurav Patial, Shuang Li, Shan He, Xiaojun Yan, Arihiro Iwasaki, Kiyotake Suenaga, Chengcong Zhu, Haixi Luo, Fuli Tian, Fuad Fares, C. Benjamin Naman and Tal Luzzatto-Knaan

Marine Drugs, 2021, 19, 397
DOI: 10.3390/md19070397

MolNetEnhancer: Enhanced Molecular Networks by Integrating Metabolome Mining and Annotation Tools

Madeleine Ernst, Kyo Bin Kang, Andrés Mauricio Caraballo-Rodríguez, Louis-Felix Nothias, Joe Wandy, Christopher Chen, Mingxun Wang, Simon Rogers, Marnix H. Medema, Pieter C. Dorrestein and Justin J.J. van der Hooft

Metabolites, 2019, 9, 144
DOI: 10.3390/metabo9070144

Network-based strategies in metabolomics data analysis and interpretation: from molecular networking to biological interpretation

Leonardo Perez De Souza, Saleh Alseekh, Yariv Brotman and Alisdair R Fernie

Expert Review of Proteomics, 2020, 17, 243
DOI: 10.1080/14789450.2020.1766975

Taxonomy-based molecular networks for discovery of triterpenoids from functional mushroom Ganoderma shandongense and their acetylcholinesterase inhibitory activity

Yuxi Wang, Yaqin Huo, Qi Wang, Yulian Wei, Le Zhou and Haisheng Yuan

Food Bioscience, 2025, 68, 106740
DOI: 10.1016/j.fbio.2025.106740

Rapid qualitative profiling of metabolites present in Fusarium solani, a rhizospheric fungus derived from Senna spectabilis, using GC/MS and UPLC-QTOF/MSE techniques assisted by UNIFI information system

Natália Carolina Vieira, Patrícia Cardoso Cortelo and Ian Castro-Gamboa

Eur J Mass Spectrom (Chichester), 2020, 26, 281
DOI: 10.1177/1469066720922424

Molecular Networking Discloses the Chemical Diversity of Flavonoids and Selaginellins in Selaginella convoluta

Fernanda Priscila Santos Reginaldo, Paula Carolina Pires Bueno, Isabelly CristinaMatos Costa de, AlanAraújo Roque de, Arthur Germano Fett-Neto, Alberto José Cavalheiro and Raquel Brandt Giordani

Planta Med, 2021, 87, 113
DOI: 10.1055/a-1315-0666

Feature-based molecular networking for identification of organic micropollutants including metabolites by non-target analysis applied to riverbank filtration

Daniela Oberleitner, Robin Schmid, Wolfgang Schulz, Axel Bergmann and Christine Achten

Anal Bioanal Chem, 2021, 413, 5291
DOI: 10.1007/s00216-021-03500-7

Mass Spectral Molecular Networking to Profile the Metabolome of Biostimulant Bacillus Strains

Lerato Nephali, Paul Steenkamp, Karl Burgess, Johan Huyser, Margaretha Brand, Justin J. J. van der Hooft and Fidele Tugizimana

Front. Plant Sci., 2022, 13
DOI: 10.3389/fpls.2022.920963

MS/MS-Based Molecular Networking: An Efficient Approach for Natural Products Dereplication

Guo-Fei Qin, Xiao Zhang, Feng Zhu, Zong-Qing Huo, Qing-Qiang Yao, Qun Feng, Zhong Liu, Gui-Min Zhang, Jing-Chun Yao and Hong-Bao Liang

Molecules, 2022, 28, 157
DOI: 10.3390/molecules28010157

Advanced Methods for Natural Products Discovery: Bioactivity Screening, Dereplication, Metabolomics Profiling, Genomic Sequencing, Databases and Informatic Tools, and Structure Elucidation

Susana P. Gaudêncio, Engin Bayram, Lada Lukić Bilela, Mercedes Cueto, Ana R. Díaz-Marrero, Berat Z. Haznedaroglu, Carlos Jimenez, Manolis Mandalakis, Florbela Pereira, Fernando Reyes and Deniz Tasdemir

Marine Drugs, 2023, 21, 308
DOI: 10.3390/md21050308