The uniqueness and therapeutic value of natural products from West African medicinal plants. Part I: uniqueness and chemotaxonomy

Fidele Ntie-Kang, Lydia L. Lifongo, Conrad V. Simoben, Smith B. Babiaka, Wolfgang Sippl and Luc Meva'a Mbaze

RSC Adv., 2014, 4, 28728
DOI: 10.1039/C4RA03038A

Epigenetic relevant chemical space: a chemoinformatic characterization of inhibitors of DNA methyltransferases

Eli Fernández-de Gortari and José L. Medina-Franco

RSC Adv., 2015, 5, 87465
DOI: 10.1039/C5RA19611F

The chemistry and bioactivity of Southern African flora II: flavonoids, quinones and minor compound classes

Smith B. Babiaka, Fidele Ntie-Kang, Bakoh Ndingkokhar, James A. Mbah, Wolfgang Sippl and Joseph N. Yong

RSC Adv., 2015, 5, 57704
DOI: 10.1039/C5RA05524E

The uniqueness and therapeutic value of natural products from West African medicinal plants, part II: terpenoids, geographical distribution and drug discovery

Fidele Ntie-Kang, Lydia L. Lifongo, Conrad V. Simoben, Smith B. Babiaka, Wolfgang Sippl and Luc Meva'a Mbaze

RSC Adv., 2014, 4, 35348
DOI: 10.1039/C4RA04543B

The chemistry and biological activities of natural products from Northern African plant families: from Aloaceae to Cupressaceae

Fidele Ntie-Kang and Joseph N. Yong

RSC Adv., 2014, 4, 61975
DOI: 10.1039/C4RA11467A

The chemistry and bioactivity of Southern African flora I: a bioactivity versus ethnobotanical survey of alkaloid and terpenoid classes

Smith B. Babiaka, Fidele Ntie-Kang, Lydia L. Lifongo, Bakoh Ndingkokhar, James A. Mbah and Joseph N. Yong

RSC Adv., 2015, 5, 43242
DOI: 10.1039/C5RA01912E

The chemistry and biological activities of natural products from Northern African plant families: from Ebenaceae to Solanaceae

Joseph N. Yong and Fidele Ntie-Kang

RSC Adv., 2015, 5, 26580
DOI: 10.1039/C4RA15377D

COCONUT online: Collection of Open Natural Products database

Maria Sorokina, Peter Merseburger, Kohulan Rajan, Mehmet Aziz Yirik and Christoph Steinbeck

J Cheminform, 2021, 13
DOI: 10.1186/s13321-020-00478-9

African neuroscience on the global stage: Nigeria as a model

Mahmoud Bukar Maina, Yunusa Garba Mohammed, Ali Maina Bukar, Umar Ahmad, Abubakar Tijjani Salihu, Harun A. Ibrahim, Muhammad Abdurrazak, Suleiman Kwairanga Hamidu, Aisha Umar Yaro, Mosab Ali Awadelkareem, Fayza Eid Nasr and Tom Baden

Eur J of Neuroscience, 2019, 49, 1544
DOI: 10.1111/ejn.14372

Stepping Up Medicinal Chemistry Capabilities in Sub-Saharan Africa: Perspectives from Early Career African Drug Discovery Researchers

Godfrey Mayoka and Peter Mubanga Cheuka

J. Med. Chem., 2025, 68, 9840
DOI: 10.1021/acs.jmedchem.5c00081

Identification of potential dipeptidyl peptidase IV inhibitors from the ConMedNP library by virtual screening, and molecular dynamics methods

Hans Merlin Tsahnang Fofack, Maraf Mbah Bake, Simon Petry, Baruch A. Ateba, Pascal Amoa Onguéné, Haydar Mohammad-Salim, Fidele Ntie-Kang, Luc Meva'a Mbaze, Serhii Vakal and Cyril A Kenfack

Heliyon, 2024, 10, e35191
DOI: 10.1016/j.heliyon.2024.e35191

Navigating the chemical space of natural products from diverse sources: a chemoinformatics perspective

Yi Liu, Zhen Tian, Bohong Xu and De-Xin Kong

Phytochem Rev, 2026, 25, 2389
DOI: 10.1007/s11101-025-10198-3

In silico toxicity profiling of natural product compound libraries from African flora with anti-malarial and anti-HIV properties

Pascal Amoa Onguéné, Conrad V. Simoben, Ghislain W. Fotso, Kerstin Andrae-Marobela, Sami A. Khalid, Bonaventure T. Ngadjui, Luc Meva’a Mbaze and Fidele Ntie-Kang

Computational Biology and Chemistry, 2018, 72, 136
DOI: 10.1016/j.compbiolchem.2017.12.002

Unlocking potential natural products from African sources targeting overexpressed estrogen receptor alpha (ERα) in breast cancer: in silico studies

Maraf Mbah Bake, Hans Merlin Tsahnang Fofack, Wafae Abdelli, Fidele Ntie-Kang, Gouet Bebga, Ibrahim Mbouombouo Ndassa, Daniel P. Vercauteren, Haydar A. Mohammad-Salim and Jesus Vicente de Julián-Ortiz

Computational and Structural Biotechnology Reports, 2025, 2, 100033
DOI: 10.1016/j.csbr.2025.100033

Molecular modeling of plant metabolites with anti-Onchocerca activity

Jonathan Alunge Metuge, Fidele Ntie-Kang, Valery Fuh Ngwa, Smith B. Babiaka, Moses Samje and Fidelis Cho-Ngwa

Med Chem Res, 2015, 24, 2127
DOI: 10.1007/s00044-014-1280-x

STarFish: A Stacked Ensemble Target Fishing Approach and its Application to Natural Products

Nicholas T. Cockroft, Xiaolin Cheng and James R. Fuchs

J. Chem. Inf. Model., 2019, 59, 4906
DOI: 10.1021/acs.jcim.9b00489

The potential of anti-malarial compounds derived from African medicinal plants: a review of pharmacological evaluations from 2013 to 2019

Boris D. Bekono, Fidele Ntie-Kang, Pascal Amoa Onguéné, Lydia L. Lifongo, Wolfgang Sippl, Karin Fester and Luc C. O. Owono

Malar J, 2020, 19
DOI: 10.1186/s12936-020-03231-7

NANPDB: A Resource for Natural Products from Northern African Sources

Fidele Ntie-Kang, Kiran K. Telukunta, Kersten Döring, Conrad V. Simoben, Aurélien F. A. Moumbock, Yvette I. Malange, Leonel E. Njume, Joseph N. Yong, Wolfgang Sippl and Stefan Günther

J. Nat. Prod., 2017, 80, 2067
DOI: 10.1021/acs.jnatprod.7b00283

The potential of anti-malarial compounds derived from African medicinal plants, part III: an in silico evaluation of drug metabolism and pharmacokinetics profiling

Pascal Amoa Onguéné, Fidele Ntie-Kang, James Ajeck Mbah, Lydia Likowo Lifongo, Jean Claude Ndom, Wolfgang Sippl and Luc Meva′a Mbaze

Org Med Chem Lett, 2014, 4
DOI: 10.1186/s13588-014-0006-x

Chemical space of naturally occurring compounds

Fernanda I. Saldívar-González, B. Angélica Pilón-Jiménez and José L. Medina-Franco

Physical Sciences Reviews, 2019, 4
DOI: 10.1515/psr-2018-0103

4-aroylpiperidines and 4-(α-hydroxyphenyl)piperidines as selective sigma-1 receptor ligands: synthesis, preliminary pharmacological evaluation and computational studies

Hermia N. Ikome, Fidele Ntie-Kang, Moses N. Ngemenya, Zhude Tu, Robert H. Mach and Simon M. N. Efange

Chemistry Central Journal, 2016, 10
DOI: 10.1186/s13065-016-0200-1

Novel agents inhibiting the Marburg nucleoprotein using molecular docking, ADMET, MD, and quantum DFT methods

Haiwang Djefoulna Victorien Hermann, Fifen Jean Jules and Conradie Jeanet

Discov Appl Sci, 2025, 7
DOI: 10.1007/s42452-025-07356-9

A hierarchical approach towards identification of novel inhibitors against L, D-transpeptidase YcbB as an anti-bacterial therapeutic target

Abdullah S. Alawam, Lina M. Alneghery, Maher S. Alwethaynani and Mubarak A. Alamri

Journal of Biomolecular Structure and Dynamics, 2025, 43, 6148
DOI: 10.1080/07391102.2024.2322619

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

African Natural Products Database (ANPDB): A resource for exploring the therapeutic potential of natural compounds from Africa

Jude Y Betow, Ammar Qaseem, Boris D Bekono, Yue Feng, Aurélien F A Moumbock, Conrad V Simoben, Smith B Babiaka, Solange A Tanyi, Vanessa A Shu, Ariane T Ndi, Pascal Amoa Onguéné, Clovis S Metuge, Simeon Akame, Donatus B Eni, Cyril T Namba-Nzanguim, Mathieu J M Tjegbe, Marianka N L Dikande, Patience T Akeh, Sounders Balgah, Cyprian D Meh, Akachukwu Ibezim, Idris F Tabi, Yvette I Malange, Bakoh Ndingkokhar, Leonel E Njume, Kiran K Telukunta, Said Amrani, Oyere T Ebob, Wolfgang Sippl, Stefan Günther and Fidele Ntie-Kang

Nucleic Acids Research, 2026, 54, D1336
DOI: 10.1093/nar/gkaf1186

Identification of Potential Inhibitors of Plasmodium falciparum L‐lactate Dehydrogenase From Selected African Compound Libraries: Virtual Screening, Molecular Mechanics‐Generalized Born Surface Area, and Molecular Dynamics Studies

Maraf Mbah Bake, Hans Merlin Tsahnang Fofack, Joëlle Nadia Nouping Fekoua, Fidele Ntie‐Kang, Daniel Pierre Vercauteren, Ibrahim Mbouombouo Ndassa, Haydar A. Mohammad‐Salim and Jesus Vicente de Julián‐Ortiz

Chemistry & Biodiversity, 2025, 22
DOI: 10.1002/cbdv.202501004

SANCDB: an update on South African natural compounds and their readily available analogs

Bakary N’tji Diallo, Michael Glenister, Thommas M. Musyoka, Kevin Lobb and Özlem Tastan Bishop

J Cheminform, 2021, 13
DOI: 10.1186/s13321-021-00514-2

Value Addition to African Natural Product-Based Drug Discovery Initiatives

Godfrey Mayoka, Peter Mubanga Cheuka, Phanankosi Moyo, Godwin Akpeko Dziwornu and Denzil Beukes

J. Nat. Prod., 2025, 88, 2018
DOI: 10.1021/acs.jnatprod.5c00446

Molecular modelling and de novo fragment-based design of potential inhibitors of beta-tubulin gene of Necator americanus from natural products

Odame Agyapong, Seth O. Asiedu, Samuel K. Kwofie, Whelton A. Miller, Christian S. Parry, Robert A. Sowah and Michael D. Wilson

Informatics in Medicine Unlocked, 2021, 26, 100734
DOI: 10.1016/j.imu.2021.100734

Fragment-based drug design of nature-inspired compounds

Abdulkarim Najjar, Abdurrahman Olğaç, Fidele Ntie-Kang and Wolfgang Sippl

Physical Sciences Reviews, 2019, 4
DOI: 10.1515/psr-2018-0110

The potential of anti-malarial compounds derived from African medicinal plants. Part I: A pharmacological evaluation of alkaloids and terpenoids

Pascal Amoa Onguéné, Fidele Ntie-Kang, Lydia Likowo Lifongo, Jean Claude Ndom, Wolfgang Sippl and Luc Meva’a Mbaze

Malar J, 2013, 12
DOI: 10.1186/1475-2875-12-449

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

An enumeration of natural products from microbial, marine and terrestrial sources

Fidele Ntie-Kang and Daniel Svozil

Physical Sciences Reviews, 2020, 5
DOI: 10.1515/psr-2018-0121

Review on natural products databases: where to find data in 2020

Maria Sorokina and Christoph Steinbeck

J Cheminform, 2020, 12
DOI: 10.1186/s13321-020-00424-9

BioPhytMol: a drug discovery community resource on anti-mycobacterial phytomolecules and plant extracts

Arun Sharma, Prasun Dutta, Maneesh Sharma, Neeraj Kumar Rajput, Bhavna Dodiya, John J Georrge, Trupti Kholia and Anshu Bhardwaj

J Cheminform, 2014, 6
DOI: 10.1186/s13321-014-0046-2

ETM-DB: integrated Ethiopian traditional herbal medicine and phytochemicals database

Lemessa Etana Bultum, Assefa Mussa Woyessa and Doheon Lee

BMC Complement Altern Med, 2019, 19
DOI: 10.1186/s12906-019-2634-1

Prediction of modes of action of components of traditional medicinal preparations

Fatima Baldo

Physical Sciences Reviews, 2020, 5
DOI: 10.1515/psr-2018-0115

COMPUTATIONAL APPROACHES FOR DRUG DISCOVERY FROM MEDICINAL PLANTS IN THE ERA OF DATA DRIVEN RESEARCH

Pratibha Pansari

IND. DRU., 2021, 58, 7
DOI: 10.53879/id.58.08.12930

Molecular Modeling of Potential Anticancer Agents from African Medicinal Plants

Fidele Ntie-Kang, Justina Ngozi Nwodo, Akachukwu Ibezim, Conrad Veranso Simoben, Berin Karaman, Valery Fuh Ngwa, Wolfgang Sippl, Michael Umale Adikwu and Luc Meva’a Mbaze

J. Chem. Inf. Model., 2014, 54, 2433
DOI: 10.1021/ci5003697

Fragment‐Based Design of Pseudo‐Natural Products, Synthesis, and Evaluation of Their HIV‐1 Latency‐Reversing Properties

Solange A. Tanyi, Donatus B. Eni, Mohamed Abdelsalam, Mathieu J. M. Tjegbe, Matthias Schmidt, Roland N. Ndip, Ian Tietjen, Wolfgang Sippl and Fidele Ntie‐Kang

Chem Biol Drug Des, 2026, 107
DOI: 10.1111/cbdd.70235

SANCDB: a South African natural compound database

Rowan Hatherley, David K Brown, Thommas M Musyoka, David L Penkler, Ngonidzashe Faya, Kevin A Lobb and Özlem Tastan Bishop

J Cheminform, 2015, 7
DOI: 10.1186/s13321-015-0080-8

Discovery of novel Plasmodium falciparum PfDHFR-TS inhibitors from ConMedNP natural compounds: a multi-computational approach

Victorien Hermann Haiwang Djefoulna, Maxime Atiya Atiya, Jean Jules Fifen and Jeanet Conradie

Mol Divers, 2025
DOI: 10.1007/s11030-025-11356-7

Current status and prospects of computational resources for natural product dereplication: a review

Ahmed Mohamed, Canh Hao Nguyen and Hiroshi Mamitsuka

Brief Bioinform, 2016, 17, 309
DOI: 10.1093/bib/bbv042

Systematic review on phytochemicals structure and activity databases

Shyam G Ingle, Aniket K Gade and Ganesh B Hedawoo