Ntie-Kang Fidele, Eni Donatus B, Telukunta Kiran K, Osamor Victor Chukwudi, Egieyeh Samuel A, Duran-Frigola Miquel, Mishra Pankaj, Shadrack Daniel M, Paul Lucas, Musyoka Thommas M, Blin Kai, Farid Mai M, Chen Ya, Djogang Lucie Karelle, Betow Jude Y, Ibezim Akachukwu, Joshi Darshana, Edwin Alanis T, Chama Mary A, Ongagna Jean Moto, Kemdoum Sinda Pierre Valery, Metuge Jonathan A, Bekono Boris D, Isa Mustafa A, Medina-Franco José L, Weber Tilmann, Dorrestein Pieter C, Janezic Dusanka, Bishop Özlem Tastan, Ludwig-Müller Jutta
Center for Drug Discovery, University of Buea, P. O. Box 63 Buea, Cameroon.
Department of Chemistry, University of Buea, P. O. Box 63 Buea, Cameroon.
Phys Sci Rev. 2024 May 8;9(10):3289-3304. doi: 10.1515/psr-2024-0015. eCollection 2024 Oct.
We report the outcomes of the second session of the free online open-access workshop "Computational Applications in Secondary Metabolite Discovery (CAiSMD) 2022" that took place from 09 to 11 March 2022. The first session was held from 08 to 10 March 2021 and drew the attention of many early career scientists from academia and industry. The 23 invited speakers of this year's workshop also came from academia and industry and 222 registered participants from five continents (Africa, Asia, Europe, South, and North America) took part in the workshop. The workshop highlighted the potential applications of computational methodologies in the search for secondary metabolites or natural products as drug candidates and drug leads. For three days, the participants of this online workshop discussed 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. These were followed by oral presentations during which much interaction between the speakers and the audience was observed. Selected applicants (early-career scientists) were offered the opportunity to give oral presentations (15 min) upon submission of an abstract. The final program available on the workshop website (https://indiayouth.info/index.php/caismd) comprised three keynote lectures, 14 oral presentations, two round table discussions, and four hands-on sessions. This meeting report also references internet resources for computational biology around secondary metabolites that are of use outside of the workshop areas and will constitute a long-term valuable source for the community.
我们报告了2022年3月9日至11日举行的免费在线开放获取研讨会“次生代谢物发现中的计算应用（CAiSMD）2022”第二届会议的成果。第一届会议于2021年3月8日至10日举行，吸引了许多来自学术界和工业界的早期职业科学家的关注。今年研讨会的23位特邀演讲者也来自学术界和工业界，来自五大洲（非洲、亚洲、欧洲、南美洲和北美洲）的222名注册参与者参加了此次研讨会。该研讨会强调了计算方法在寻找作为候选药物和药物先导的次生代谢物或天然产物方面的潜在应用。为期三天，此次在线研讨会的参与者讨论了在“组学”时代探索天然产物发现的现代计算机方法。特邀专家发表了主题演讲，在实践环节对参与者进行培训，并举行了圆桌讨论。随后是口头报告，期间观察到演讲者与观众之间有大量互动。选定的申请者（早期职业科学家）在提交摘要后有机会进行15分钟的口头报告。研讨会网站（https://indiayouth.info/index.php/caismd）上的最终议程包括三场主题演讲、14场口头报告、两场圆桌讨论和四场实践环节。本会议报告还引用了次生代谢物相关计算生物学的互联网资源，这些资源在研讨会领域之外也有用处，并将成为该领域长期的宝贵资源。
