Challenges in natural product-based drug discovery assisted within silico-based methods

Conrad V. Simoben, Smith B. Babiaka, Aurélien F. A. Moumbock, Cyril T. Namba-Nzanguim, Donatus Bekindaka Eni, José L. Medina-Franco, Stefan Günther, Fidele Ntie-Kang and Wolfgang Sippl

RSC Adv., 2023, 13, 31578
DOI: 10.1039/D3RA06831E

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

Natural product drug discovery in the artificial intelligence era

F. I. Saldívar-González, V. D. Aldas-Bulos, J. L. Medina-Franco and F. Plisson

Chem. Sci., 2022, 13, 1526
DOI: 10.1039/D1SC04471K

Safety, Stability, and Therapeutic Efficacy of Long-Circulating TQ-Incorporated Liposomes: Implication in the Treatment of Lung Cancer

Arif Khan, Mohammed A. Alsahli, Mohammad A. Aljasir, Hamzah Maswadeh, Mugahid A. Mobark, Faizul Azam, Khaled S. Allemailem, Faris Alrumaihi, Fahad A. Alhumaydhi, Ameen S. S. Alwashmi, Ahmed A. Almatroudi, Mahdi H. Alsugoor and Masood A. Khan

Pharmaceutics, 2022, 14, 153
DOI: 10.3390/pharmaceutics14010153

A review of in silico toxicology approaches to support the safety assessment of cosmetics-related materials

Mark T.D. Cronin, Steven J. Enoch, Judith C. Madden, James F. Rathman, Andrea-Nicole Richarz and Chihae Yang

Computational Toxicology, 2022, 21, 100213
DOI: 10.1016/j.comtox.2022.100213

Exploring Anti-osteoporosis Medicinal Herbs using Cheminformatics and Deep Learning Approaches

Ziying Lin, Shengjun Wang, Zhihong Liu, Bingdong Liu, Liwei Xie and Jingwei Zhou

CCHTS, 2023, 26, 1802
DOI: 10.2174/1386207325666220905155923

Machine learning-assisted affinity ultrafiltration for bioactive natural products discovery:Application to screening of neuraminidase inhibitors from medicinal herbs

Menghan Chen, Shengyong Ding, Liqing Wang, Tongtong Jian, Yong Yang and Rong Rong

Analytica Chimica Acta, 2025, 1374, 344522
DOI: 10.1016/j.aca.2025.344522

Potential clinical applications of phytopharmaceuticals for the in‐patient management of coagulopathies in COVID‐19

Ashis K. Mukherjee and Dhruba J. Chattopadhyay

Phytotherapy Research, 2022, 36, 1884
DOI: 10.1002/ptr.7408

Machine Learning-Enabled Genome Mining and Bioactivity Prediction of Natural Products

Yujie Yuan, Chengyou Shi and Huimin Zhao

ACS Synth. Biol., 2023, 12, 2650
DOI: 10.1021/acssynbio.3c00234

Advances in machine learning screening of food bioactive compounds

Yiyun Zhang, Xin Bao, Yiqing Zhu, Zijian Dai, Qun Shen and Yong Xue

Trends in Food Science & Technology, 2024, 150, 104578
DOI: 10.1016/j.tifs.2024.104578

Deep Learning Promotes the Screening of Natural Products with Potential Microtubule Inhibition Activity

Xiao-Nan Jia, Wei-Jia Wang, Bo Yin, Lin-Jing Zhou, Yong-Qi Zhen, Lan Zhang, Xian-Li Zhou, Hai-Ning Song, Yong Tang and Feng Gao

ACS Omega, 2022, 7, 28334
DOI: 10.1021/acsomega.2c02854

ResNet18DNN: prediction approach of drug-induced liver injury by deep neural network with ResNet18

Zhao Chen, Yin Jiang, Xiaoyu Zhang, Rui Zheng, Ruijin Qiu, Yang Sun, Chen Zhao and Hongcai Shang

Briefings in Bioinformatics, 2022, 23
DOI: 10.1093/bib/bbab503

Progress and Impact of Latin American Natural Product Databases

Alejandro Gómez-García and José L. Medina-Franco

Biomolecules, 2022, 12, 1202
DOI: 10.3390/biom12091202

Natural products regulate mitochondrial function in cognitive dysfunction—A scoping review

Jinmei Tuo, Yan Peng, Yushuang Linghu, Ming Tao, Shiming Huang and Zucai Xu

Front. Pharmacol., 2023, 14
DOI: 10.3389/fphar.2023.1091879

Open data and algorithms for open science in AI-driven molecular informatics

Henning Otto Brinkhaus, Kohulan Rajan, Jonas Schaub, Achim Zielesny and Christoph Steinbeck

Current Opinion in Structural Biology, 2023, 79, 102542
DOI: 10.1016/j.sbi.2023.102542

Artifical intelligence: a virtual chemist for natural product drug discovery

Shefali Arora, Sukanya Chettri, Versha Percha, Deepak Kumar and Mamta Latwal

Journal of Biomolecular Structure and Dynamics, 2024, 42, 3826
DOI: 10.1080/07391102.2023.2216295

Navigating the Chemical Space and Chemical Multiverse of a Unified Latin American Natural Product Database: LANaPDB

Alejandro Gómez-García, Daniel A. Acuña Jiménez, William J. Zamora, Haruna L. Barazorda-Ccahuana, Miguel Á. Chávez-Fumagalli, Marilia Valli, Adriano D. Andricopulo, Vanderlan da S. Bolzani, Dionisio A. Olmedo, Pablo N. Solís, Marvin J. Núñez, Johny R. Rodríguez Pérez, Hoover A. Valencia Sánchez, Héctor F. Cortés Hernández and José L. Medina-Franco

Pharmaceuticals, 2023, 16, 1388
DOI: 10.3390/ph16101388

Recent development of machine learning models for the prediction of drug-drug interactions

Eujin Hong, Junhyeok Jeon and Hyun Uk Kim

Korean J. Chem. Eng., 2023, 40, 276
DOI: 10.1007/s11814-023-1377-3

Twenty-five years of natural products research in NuBBE

Helena Mannochio-Russo, Ana Letícia Pires dos Santos, Paula Carolina Pires Bueno, Rafael Vieira, Meri Emili Ferreira Pinto, Suzana Aparecida Silva Queiroz, Luiz Antonio Dutra, Lidiane Gaspareto Felippe, Andrea Nastri de Luca Batista, Tatiana Maria de Souza-Moreira, Marilia Valli, Rebeca Previate Medina, Angela Regina Araujo, Alan Cesar Pilon, Ian Castro-Gamboa, Alberto José Cavalheiro, Dulce Helena Siqueira Silva, Maysa Furlan and Vanderlan da Silva Bolzani

Front. Nat. Prod., 2023, 2
DOI: 10.3389/fntpr.2023.1252092

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