Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop
Autor(a) principal: | |
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Data de Publicação: | 2021 |
Outros Autores: | , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UNESP |
Texto Completo: | http://dx.doi.org/10.1186/s13321-021-00546-8 http://hdl.handle.net/11449/229494 |
Resumo: | 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 (https://caismd.indiayouth.info/) 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. |
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Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshopBioinformaticsChemoinformaticsMetabolitesOnline workshopPredictionsWeb toolsWe 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 (https://caismd.indiayouth.info/) 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.Deutscher Akademischer AustauschdienstDepartment of Chemistry University of Buea, P. O. Box 63Institute of Pharmacy Martin-Luther University of Halle-Wittenberg, Kurt-Mothes-Str. 3Institute of Botany Technische Universität Dresden, Zellescher Weg 20bTarunavadaanenasaha Muktbharatonnayana Samstha FoundationInstitute of Pharmaceutical Biology Technische Universität Braunschweig, Mendelssohnstrasse 1Department of Computer and Information Sciences Colege of Science and Technology Covenant University, Km. 10 Idiroko RdSchool of Pharmacy University of the Western CapeSouth African Medical Research Council Bioinformatics Unit South African National Bioinformatics Institute University of the Western CapeNuclei of Bioassays Biosynthesis and Ecophysiology of Natural Products (NuBBE) Department of Organic Chemistry Institute of Chemistry Sao Paulo State University–UNESPCorteva AgriscienceInstitute for Inorganic and Analytical Chemistry Friedrich Schiller UniversityCenter for Bioinformatics Universität HamburgDepartment of Chemistry and Computational Biology Unit (CBU) University of BergenPharmaceutical Bioinformatics Albert-Ludwigs-UniversityDIFACQUIM Research Group Department of Pharmacy School of Chemistry Universidad Nacional Autónoma de MéxicoErsilia Open Source InitiativeJoint IRB-BSC-CRG Programme in Computational Biology Institute for Research in Biomedicine (IRB Barcelona) The Barcelona Institute of Science and TechnologyDepartment of Chemistry University of DschangDepartment of Immunology School of Health Sciences Catholic University of Central Africa, BP 7871Department of Biochemistry and Molecular Biology University of Buea, P. O. Box 63Department of Physics Ecole Normale Supérieure University of Yaoundé I, BP. 47Bioinformatics and Computational Biology Lab Department of Microbiology Faculty of Sciences University of Maiduguri, P.M.B. 1069Department of Pharmaceutical and Medicinal Chemistry Faculty of Pharmaceutical Sciences University of Nigeria NsukkaDepartment of Chemistry St. John’s University of Tanzania, P. O. Box 47Research Unit in Bioinformatics (RUBi) Department of Biochemistry and Microbiology Rhodes UniversityComputer Aided Drug Design Lab KIET Group of InstitutionsBioinformatics Group Wageningen UniversityDepartment of Pharmaceutical Sciences Division of Pharmaceutical Chemistry University of ViennaThe Novo Nordisk Foundation Center for Biosustainability Technical University of DenmarkDepartment of Bioorganic Chemistry Leibniz Institute of Plant Biochemistry (IPB), Weinberg 3German Centre for Integrative Biodiversity Research (iDiv), Puschstraße 4Nuclei of Bioassays Biosynthesis and Ecophysiology of Natural Products (NuBBE) Department of Organic Chemistry Institute of Chemistry Sao Paulo State University–UNESPUniversity of BueaMartin-Luther University of Halle-WittenbergTechnische Universität DresdenTarunavadaanenasaha Muktbharatonnayana Samstha FoundationTechnische Universität BraunschweigCovenant UniversityUniversity of the Western CapeUniversidade Estadual Paulista (UNESP)Corteva AgriscienceFriedrich Schiller UniversityUniversität HamburgUniversity of BergenAlbert-Ludwigs-UniversityUniversidad Nacional Autónoma de MéxicoErsilia Open Source InitiativeThe Barcelona Institute of Science and TechnologyUniversity of DschangCatholic University of Central AfricaUniversity of Yaoundé IUniversity of MaiduguriUniversity of Nigeria NsukkaSt. John’s University of TanzaniaRhodes UniversityKIET Group of InstitutionsWageningen UniversityUniversity of ViennaTechnical University of DenmarkLeibniz Institute of Plant Biochemistry (IPB)German Centre for Integrative Biodiversity Research (iDiv)Ntie-Kang, FideleTelukunta, Kiran K.Fobofou, Serge A. T.Chukwudi Osamor, VictorEgieyeh, Samuel A.Valli, Marilia [UNESP]Djoumbou-Feunang, YannickSorokina, MariaStork, ConradMathai, NeannZierep, PaulChávez-Hernández, Ana L.Duran-Frigola, MiquelBabiaka, Smith B.Tematio Fouedjou, RomualdEni, Donatus B.Akame, SimeonArreyetta-Bawak, Augustine B.Ebob, Oyere T.Metuge, Jonathan A.Bekono, Boris D.Isa, Mustafa A.Onuku, RaphaelShadrack, Daniel M.Musyoka, Thommas M.Patil, Vaishali M.van der Hooft, Justin J. J.da Silva Bolzani, Vanderlan [UNESP]Medina-Franco, José L.Kirchmair, JohannesWeber, TilmannTastan Bishop, ÖzlemMedema, Marnix H.Wessjohann, Ludger A.Ludwig-Müller, Jutta2022-04-29T08:32:47Z2022-04-29T08:32:47Z2021-12-01info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://dx.doi.org/10.1186/s13321-021-00546-8Journal of Cheminformatics, v. 13, n. 1, 2021.1758-2946http://hdl.handle.net/11449/22949410.1186/s13321-021-00546-82-s2.0-85114625773Scopusreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengJournal of Cheminformaticsinfo:eu-repo/semantics/openAccess2022-04-29T08:32:48Zoai:repositorio.unesp.br:11449/229494Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462022-04-29T08:32:48Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false |
dc.title.none.fl_str_mv |
Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop |
title |
Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop |
spellingShingle |
Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop Ntie-Kang, Fidele Bioinformatics Chemoinformatics Metabolites Online workshop Predictions Web tools |
title_short |
Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop |
title_full |
Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop |
title_fullStr |
Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop |
title_full_unstemmed |
Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop |
title_sort |
Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop |
author |
Ntie-Kang, Fidele |
author_facet |
Ntie-Kang, Fidele Telukunta, Kiran K. Fobofou, Serge A. T. Chukwudi Osamor, Victor Egieyeh, Samuel A. Valli, Marilia [UNESP] Djoumbou-Feunang, Yannick Sorokina, Maria Stork, Conrad Mathai, Neann Zierep, Paul Chávez-Hernández, Ana L. Duran-Frigola, Miquel Babiaka, Smith B. Tematio Fouedjou, Romuald Eni, Donatus B. Akame, Simeon Arreyetta-Bawak, Augustine B. Ebob, Oyere T. Metuge, Jonathan A. Bekono, Boris D. Isa, Mustafa A. Onuku, Raphael Shadrack, Daniel M. Musyoka, Thommas M. Patil, Vaishali M. van der Hooft, Justin J. J. da Silva Bolzani, Vanderlan [UNESP] Medina-Franco, José L. Kirchmair, Johannes Weber, Tilmann Tastan Bishop, Özlem Medema, Marnix H. Wessjohann, Ludger A. Ludwig-Müller, Jutta |
author_role |
author |
author2 |
Telukunta, Kiran K. Fobofou, Serge A. T. Chukwudi Osamor, Victor Egieyeh, Samuel A. Valli, Marilia [UNESP] Djoumbou-Feunang, Yannick Sorokina, Maria Stork, Conrad Mathai, Neann Zierep, Paul Chávez-Hernández, Ana L. Duran-Frigola, Miquel Babiaka, Smith B. Tematio Fouedjou, Romuald Eni, Donatus B. Akame, Simeon Arreyetta-Bawak, Augustine B. Ebob, Oyere T. Metuge, Jonathan A. Bekono, Boris D. Isa, Mustafa A. Onuku, Raphael Shadrack, Daniel M. Musyoka, Thommas M. Patil, Vaishali M. van der Hooft, Justin J. J. da Silva Bolzani, Vanderlan [UNESP] Medina-Franco, José L. Kirchmair, Johannes Weber, Tilmann Tastan Bishop, Özlem Medema, Marnix H. Wessjohann, Ludger A. Ludwig-Müller, Jutta |
author2_role |
author author author author author author author author author author author author author author author author author author author author author author author author author author author author author author author author author author |
dc.contributor.none.fl_str_mv |
University of Buea Martin-Luther University of Halle-Wittenberg Technische Universität Dresden Tarunavadaanenasaha Muktbharatonnayana Samstha Foundation Technische Universität Braunschweig Covenant University University of the Western Cape Universidade Estadual Paulista (UNESP) Corteva Agriscience Friedrich Schiller University Universität Hamburg University of Bergen Albert-Ludwigs-University Universidad Nacional Autónoma de México Ersilia Open Source Initiative The Barcelona Institute of Science and Technology University of Dschang Catholic University of Central Africa University of Yaoundé I University of Maiduguri University of Nigeria Nsukka St. John’s University of Tanzania Rhodes University KIET Group of Institutions Wageningen University University of Vienna Technical University of Denmark Leibniz Institute of Plant Biochemistry (IPB) German Centre for Integrative Biodiversity Research (iDiv) |
dc.contributor.author.fl_str_mv |
Ntie-Kang, Fidele Telukunta, Kiran K. Fobofou, Serge A. T. Chukwudi Osamor, Victor Egieyeh, Samuel A. Valli, Marilia [UNESP] Djoumbou-Feunang, Yannick Sorokina, Maria Stork, Conrad Mathai, Neann Zierep, Paul Chávez-Hernández, Ana L. Duran-Frigola, Miquel Babiaka, Smith B. Tematio Fouedjou, Romuald Eni, Donatus B. Akame, Simeon Arreyetta-Bawak, Augustine B. Ebob, Oyere T. Metuge, Jonathan A. Bekono, Boris D. Isa, Mustafa A. Onuku, Raphael Shadrack, Daniel M. Musyoka, Thommas M. Patil, Vaishali M. van der Hooft, Justin J. J. da Silva Bolzani, Vanderlan [UNESP] Medina-Franco, José L. Kirchmair, Johannes Weber, Tilmann Tastan Bishop, Özlem Medema, Marnix H. Wessjohann, Ludger A. Ludwig-Müller, Jutta |
dc.subject.por.fl_str_mv |
Bioinformatics Chemoinformatics Metabolites Online workshop Predictions Web tools |
topic |
Bioinformatics Chemoinformatics Metabolites Online workshop Predictions Web tools |
description |
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 (https://caismd.indiayouth.info/) 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. |
publishDate |
2021 |
dc.date.none.fl_str_mv |
2021-12-01 2022-04-29T08:32:47Z 2022-04-29T08:32:47Z |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://dx.doi.org/10.1186/s13321-021-00546-8 Journal of Cheminformatics, v. 13, n. 1, 2021. 1758-2946 http://hdl.handle.net/11449/229494 10.1186/s13321-021-00546-8 2-s2.0-85114625773 |
url |
http://dx.doi.org/10.1186/s13321-021-00546-8 http://hdl.handle.net/11449/229494 |
identifier_str_mv |
Journal of Cheminformatics, v. 13, n. 1, 2021. 1758-2946 10.1186/s13321-021-00546-8 2-s2.0-85114625773 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
Journal of Cheminformatics |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.source.none.fl_str_mv |
Scopus reponame:Repositório Institucional da UNESP instname:Universidade Estadual Paulista (UNESP) instacron:UNESP |
instname_str |
Universidade Estadual Paulista (UNESP) |
instacron_str |
UNESP |
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UNESP |
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Repositório Institucional da UNESP |
collection |
Repositório Institucional da UNESP |
repository.name.fl_str_mv |
Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP) |
repository.mail.fl_str_mv |
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1799965585673551872 |