Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop

Research output: Contribution to journalResearch articleContributedpeer-review


  • Fidele Ntie-Kang - , University of Buea (Author)
  • Kiran K Telukunta - , Tarunavadaanenasaha Muktbharatonnayana Samstha Foundation (Author)
  • Serge A T Fobofou - , Institute of Pharmaceutical Biology (Author)
  • Victor Chukwudi Osamor - , Covenant University (Author)
  • Samuel A Egieyeh - , University of the Western Cape (Author)
  • Marilia Valli - , Sao Paulo State University-UNESP (Author)
  • Yannick Djoumbou-Feunang - , Corteva Agriscience (Author)
  • Maria Sorokina - , Friedrich Schiller University Jena (Author)
  • Conrad Stork - , University of Hamburg (Author)
  • Neann Mathai - , University of Bergen (Author)
  • Paul Zierep - , University of Freiburg (Author)
  • Ana L Chávez-Hernández - , School of Chemistry (Author)
  • Miquel Duran-Frigola - , Ersilia Open Source Initiative (Author)
  • Smith B Babiaka - , University of Buea (Author)
  • Romuald Tematio Fouedjou - , Université de Dschang (Author)
  • Donatus B Eni - , University of Buea (Author)
  • Simeon Akame - , Catholic University of Central Africa (Author)
  • Augustine B Arreyetta-Bawak - , University of Buea (Author)
  • Oyere T Ebob - , University of Buea (Author)
  • Jonathan A Metuge - , University of Buea (Author)
  • Boris D Bekono - , Université de Yaoundé I (Author)
  • Mustafa A Isa - , University of Maiduguri (Author)
  • Raphael Onuku - , American University of Nigeria (Author)
  • Daniel M Shadrack - , St John's University of Tanzania (Author)
  • Thommas M Musyoka - , Rhodes University (Author)
  • Vaishali M Patil - , Computer Aided Drug Design Lab (Author)
  • Justin J J van der Hooft - , Wageningen University & Research (WUR) (Author)
  • Vanderlan da Silva Bolzani - , Sao Paulo State University-UNESP (Author)
  • José L Medina-Franco - , School of Chemistry (Author)
  • Johannes Kirchmair - , University of Vienna (Author)
  • Tilmann Weber - , Technical University of Denmark (Author)
  • Özlem Tastan Bishop - , Rhodes University (Author)
  • Marnix H Medema - , Wageningen University & Research (WUR) (Author)
  • Ludger A Wessjohann - , Leibniz Institute of Plant Biochemistry (Author)
  • Jutta Ludwig-Müller - , Institute of Botany (Author)


We report the major conclusions of the online open-access workshop "Computational Applications in Secondary Metabolite Discovery (CAiSMD)" that took place from 08 to 10 March 2021. Invited speakers from academia and industry and about 200 registered participants from five continents (Africa, Asia, Europe, South America, and North America) took part in the workshop. The workshop highlighted the potential applications of computational methodologies in the search for secondary metabolites (SMs) or natural products (NPs) as potential drugs and drug leads. During 3 days, the participants of this online workshop received an overview of modern computer-based approaches for exploring NP discovery in the "omics" age. The invited experts gave keynote lectures, trained participants in hands-on sessions, and held round table discussions. This was followed by oral presentations with much interaction between the speakers and the audience. Selected applicants (early-career scientists) were offered the opportunity to give oral presentations (15 min) and present posters in the form of flash presentations (5 min) upon submission of an abstract. The final program available on the workshop website ( ) comprised of 4 keynote lectures (KLs), 12 oral presentations (OPs), 2 round table discussions (RTDs), and 5 hands-on sessions (HSs). This meeting report also references internet resources for computational biology in the area of secondary metabolites that are of use outside of the workshop areas and will constitute a long-term valuable source for the community. The workshop concluded with an online survey form to be completed by speakers and participants for the goal of improving any subsequent editions.


Original languageEnglish
Pages (from-to)64
JournalJournal of cheminformatics
Issue number1
Publication statusPublished - 6 Sept 2021

External IDs

PubMedCentral PMC8419829
Scopus 85114625773


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