Your browser doesn't support javascript.
loading
Cheminformatic characterization of natural products from Panama.
Olmedo, Dionisio A; González-Medina, Mariana; Gupta, Mahabir P; Medina-Franco, José L.
Afiliação
  • Olmedo DA; CIFLORPAN, Center for Pharmacognostic Research on Panamanian Flora, College of Pharmacy, University of Panama, Campus Universitario Octavio Méndez Pereira, Avenida Octavio Méndez Pereira, P.O. Box 0824-00172, Panama City, Republic of Panama. ciflorp4@up.ac.pa.
  • González-Medina M; Departamento de Farmacia, Facultad de Química, Universidad Nacional Autónoma de México, Avenida Universidad 3000, 04510, Mexico City, Mexico.
  • Gupta MP; CIFLORPAN, Center for Pharmacognostic Research on Panamanian Flora, College of Pharmacy, University of Panama, Campus Universitario Octavio Méndez Pereira, Avenida Octavio Méndez Pereira, P.O. Box 0824-00172, Panama City, Republic of Panama.
  • Medina-Franco JL; Departamento de Farmacia, Facultad de Química, Universidad Nacional Autónoma de México, Avenida Universidad 3000, 04510, Mexico City, Mexico. jose.medina.franco@gmail.com.
Mol Divers ; 21(4): 779-789, 2017 Nov.
Article em En | MEDLINE | ID: mdl-28831697
In this work, we discuss the characterization and diversity analysis of 354 natural products (NPs) from Panama, systematically analyzed for the first time. The in-house database was compared to NPs from Brazil, compounds from Traditional Chinese Medicine, natural and semisynthetic collections used in high-throughput screening, and compounds from ChEMBL. An analysis of the "global diversity" was conducted using molecular properties of pharmaceutical interest, three molecular fingerprints of different design, molecular scaffolds, and molecular complexity. The global diversity was visualized using consensus diversity plots that revealed that the secondary metabolites in the Panamanian flora have a large scaffold diversity as compared to other composite databases and also have several unique scaffolds. The large scaffold diversity is in agreement with the broad range of biological activities that this collection of NPs from Panama has shown. This study also provided further quantitative evidence of the large structural complexity of NPs. The results obtained in this study support that NPs from Panama are promising candidates to identify selective molecules and are suitable sources of compounds for virtual screening campaigns.
Assuntos
Palavras-chave
Texto completo
Adicionar na Minha BVS
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Produtos Biológicos / Informática / Descoberta de Drogas País/Região como assunto: America central / Panama Idioma: En Revista: Mol Divers Assunto da revista: BIOLOGIA MOLECULAR Ano de publicação: 2017 Tipo de documento: Article País de afiliação: Panamá País de publicação: Holanda
Texto completo
Adicionar na Minha BVS
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Produtos Biológicos / Informática / Descoberta de Drogas País/Região como assunto: America central / Panama Idioma: En Revista: Mol Divers Assunto da revista: BIOLOGIA MOLECULAR Ano de publicação: 2017 Tipo de documento: Article País de afiliação: Panamá País de publicação: Holanda