A primer on natural product-based virtual screening

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Autor(es): dc.contributorNational and Kapodistrian University of Athens-
Autor(es): dc.contributorUniversidade de São Paulo (USP)-
Autor(es): dc.contributorUniversidade Estadual Paulista (UNESP)-
Autor(es): dc.contributorUniversity of Buea-
Autor(es): dc.contributorMartin-Luther University Halle-Wittenberg-
Autor(es): dc.contributorUniversity of Chemistry and Technology-
Autor(es): dc.creatorKoulouridi, Eleni-
Autor(es): dc.creatorValli, Marilia-
Autor(es): dc.creatorNtie-Kang, Fidele-
Autor(es): dc.creatorda Silva Bolzani, Vanderlan-
Data de aceite: dc.date.accessioned2025-08-21T22:21:54Z-
Data de disponibilização: dc.date.available2025-08-21T22:21:54Z-
Data de envio: dc.date.issued2023-07-29-
Data de envio: dc.date.issued2023-07-29-
Data de envio: dc.date.issued2020-02-24-
Fonte completa do material: dc.identifierhttp://dx.doi.org/10.1515/9783110579352-011-
Fonte completa do material: dc.identifierhttp://hdl.handle.net/11449/245958-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/11449/245958-
Descrição: dc.descriptionDatabases play an important role in various computational techniques, including virtual screening (VS) and molecular modeling in general. These collections of molecules can contain a large amount of information, making them suitable for several drug discovery applications. For example, vendor, bioactivity data or target type can be found when searching a database. The introduction of these data resources and their characteristics is used for the design of an experiment. The description of the construction of a database can also be a good advisor for the creation of a new one. There are free available databases and commercial virtual libraries of molecules. Furthermore, a computational chemist can find databases for a general purpose or a specific subset such as natural products (NPs). In this chapter, NP database resources are presented, along with some guidelines when preparing an NP database for drug discovery purposes.-
Descrição: dc.descriptionNational and Kapodistrian University of Athens-
Descrição: dc.descriptionLaboratory of Medicinal and Computational Chemistry (LQMC) Centre for Research and Innovation in Biodiversity and Drug Discovery University of São Paulo (USP), Avenida João Dagnone, no 1100-
Descrição: dc.descriptionNuclei of Bioassays Biosynthesis and Ecophysiology of Natural Products (NuBBE) Department of organic Chemistry São Paulo State University (UNESP), Av. Prof. Francisco Degni 55-
Descrição: dc.descriptionPharmacochemistry Research Group Department of Chemistry University of Buea, P. O. Box 63 Buea-
Descrição: dc.descriptionDepartment of Pharmaceutical Chemistry Martin-Luther University Halle-Wittenberg, Wolfgang-Langenbeck Str. 4-
Descrição: dc.descriptionDepartment of Informatics and Chemistry University of Chemistry and Technology, Technická 5 166 28 Prague 6-
Descrição: dc.descriptionNuclei of Bioassays Biosynthesis and Ecophysiology of Natural Products (NuBBE) Department of organic Chemistry São Paulo State University (UNESP), Av. Prof. Francisco Degni 55-
Formato: dc.format251-289-
Idioma: dc.languageen-
Relação: dc.relationVolume 1: Fundamental Concepts-
???dc.source???: dc.sourceScopus-
Palavras-chave: dc.subjectDatabases-
Palavras-chave: dc.subjectLibrary design-
Palavras-chave: dc.subjectNatural products-
Palavras-chave: dc.subjectNatural products databases-
Palavras-chave: dc.subjectVirtual screening-
Título: dc.titleA primer on natural product-based virtual screening-
Tipo de arquivo: dc.typelivro digital-
Aparece nas coleções:Repositório Institucional - Unesp

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