Latin American Natural Product Database (LANaPDB): An Update

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MetadadosDescriçãoIdioma
Autor(es): dc.contributorUniversidad Nacional Autónoma de México-
Autor(es): dc.contributorUniversity of Costa Rica-
Autor(es): dc.contributorNational High Technology Center (CeNAT)-
Autor(es): dc.contributorUniversidad Católica de Santa María-
Autor(es): dc.contributorUniversidade de São Paulo (USP)-
Autor(es): dc.contributorUniversidade Estadual Paulista (UNESP)-
Autor(es): dc.contributorUniversity of Panama-
Autor(es): dc.contributorUniversity of El Salvador-
Autor(es): dc.contributorUniversidad Tecnológica de Pereira-
Autor(es): dc.contributorUniversidad Nacional Abierta y a Distancia-
Autor(es): dc.creatorGómez-García, Alejandro-
Autor(es): dc.creatorAcuña Jiménez, Daniel A-
Autor(es): dc.creatorZamora, William J-
Autor(es): dc.creatorBarazorda-Ccahuana, Haruna L-
Autor(es): dc.creatorChávez-Fumagalli, Miguel Á.-
Autor(es): dc.creatorValli, Marilia-
Autor(es): dc.creatorAndricopulo, Adriano D-
Autor(es): dc.creatorBolzani, Vanderlan da S-
Autor(es): dc.creatorOlmedo, Dionisio A-
Autor(es): dc.creatorSolís, Pablo N-
Autor(es): dc.creatorNúñez, Marvin J-
Autor(es): dc.creatorRodríguez Pérez, Johny R-
Autor(es): dc.creatorValencia Sánchez, Hoover A-
Autor(es): dc.creatorCortés Hernández, Héctor F-
Autor(es): dc.creatorMosquera Martinez, Oscar M-
Autor(es): dc.creatorMedina-Franco, José L-
Data de aceite: dc.date.accessioned2025-08-21T19:08:00Z-
Data de disponibilização: dc.date.available2025-08-21T19:08:00Z-
Data de envio: dc.date.issued2025-04-29-
Data de envio: dc.date.issued2024-11-24-
Fonte completa do material: dc.identifierhttp://dx.doi.org/10.1021/acs.jcim.4c01560-
Fonte completa do material: dc.identifierhttps://hdl.handle.net/11449/301526-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/11449/301526-
Descrição: dc.descriptionNatural product (NP) databases are crucial tools in computer-aided drug design (CADD). Over the past decade, there has been a worldwide effort to assemble information regarding natural products (NPs) isolated and characterized in certain geographical regions. In 2023, it was published LANaPDB, and to our knowledge, this is the first attempt to gather and standardize all the NP databases of Latin America. Herein, we present and analyze in detail the contents of an updated version of LANaPDB, which includes 619 newly added compounds from Colombia, Costa Rica, and Mexico. The present version of LANaPDB has a total of 13 578 compounds, coming from ten databases of seven Latin American countries. A chemoinformatic characterization of LANaPDB was carried out, which includes the structural classification of the compounds, calculation of six physicochemical properties of pharmaceutical interest, and visualization of the chemical space by employing and comparing two different fingerprints (MACCS keys (166-bit) and Morgan2 (2048-bit)). Furthermore, additional analyses were made, and valuable information not included in the first version of LANaPDB was added, which includes structural diversity, molecular complexity, synthetic feasibility, commercial availability, and reported and predicted biological activity. In addition, the LANaPDB compounds were cross-referenced to two of the largest public chemical compound databases annotated with biological activity: ChEMBL and PubChem.-
Descrição: dc.descriptionDIFACQUIM Research Group Department of Pharmacy School of Chemistry Universidad Nacional Autónoma de México, Avenida Universidad 3000-
Descrição: dc.descriptionCBio3 Laboratory School of Chemistry University of Costa Rica, San Pedro-
Descrição: dc.descriptionLaboratory of Computational Toxicology and Artificial Intelligence (LaToxCIA) Biological Testing Laboratory (LEBi) University of Costa Rica, San Pedro-
Descrição: dc.descriptionAdvanced Computing Lab (CNCA) National High Technology Center (CeNAT), Pavas-
Descrição: dc.descriptionComputational Biology and Chemistry Research Group Vicerrectorado de Investigación Universidad Católica de Santa María-
Descrição: dc.descriptionSchool of Pharmaceutical Sciences of Ribeirao Preto (FCFRP) University of São Paulo (USP), Avenida Professor Doutor Zeferino Vaz, s/n, SP-
Descrição: dc.descriptionLaboratory of Medicinal and Computational Chemistry (LQMC) Centre for Research and Innovation in Biodiversity and Drug Discovery (CIBFar) São Carlos Institute of Physics (IFSC) University of São Paulo (USP), Av. João Dagnone, 1100, SP-
Descrição: dc.descriptionNuclei of Bioassays Biosynthesis and Ecophysiology of Natural Products (NuBBE) Department of Organic Chemistry Institute of Chemistry São Paulo State University (UNESP), Av. Prof. Francisco Degni, 55, SP-
Descrição: dc.descriptionCenter for Pharmacognostic Research on Panamanian Flora (CIFLORPAN) College of Pharmacy University of Panama, Av. Manuel E. Batista and Jose De Fabrega-
Descrição: dc.descriptionNatural Product Research Laboratory School of Chemistry and Pharmacy University of El Salvador, Final Ave. Mártires Estudiantes del 30 de Julio-
Descrição: dc.descriptionGIFAMol Research Group School of Chemistry Technology Universidad Tecnológica de Pereira-
Descrição: dc.descriptionGIEPRONAL Research Group School of Basic Sciences Technology and Engineering Universidad Nacional Abierta y a Distancia-
Descrição: dc.descriptionGBPN Research Group School of Chemistry Technology Universidad Tecnológica de Pereira-
Descrição: dc.descriptionNuclei of Bioassays Biosynthesis and Ecophysiology of Natural Products (NuBBE) Department of Organic Chemistry Institute of Chemistry São Paulo State University (UNESP), Av. Prof. Francisco Degni, 55, SP-
Formato: dc.format8495-8509-
Idioma: dc.languageen-
Relação: dc.relationJournal of Chemical Information and Modeling-
???dc.source???: dc.sourceScopus-
Título: dc.titleLatin American Natural Product Database (LANaPDB): An Update-
Tipo de arquivo: dc.typelivro digital-
Aparece nas coleções:Repositório Institucional - Unesp

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