NPASS database update 2023: quantitative natural product activity and species source database for biomedical research.
Nucleic Acids Res
; 51(D1): D621-D628, 2023 01 06.
Article
em En
| MEDLINE
| ID: mdl-36624664
ABSTRACT
Quantitative activity and species source data of natural products (NPs) are important for drug discovery, medicinal plant research, and microbial investigations. Activity values of NPs against specific targets are useful for discovering targeted therapeutic agents and investigating the mechanism of medicinal plants. Composition/concentration values of NPs in individual species facilitate the assessments and investigations of the therapeutic quality of herbs and phenotypes of microbes. Here, we describe an update of the NPASS natural product activity and species source database previously featured in NAR. This update includes (i) new data of â¼95 000 records of the composition/concentration values of â¼1 490 NPs/NP clusters in â¼390 species, (ii) extended data of activity values of â¼43 200 NPs against â¼7 700 targets (â¼40% and â¼32% increase, respectively), (iii) extended data of â¼31 600 species sources of â¼94 400 NPs (â¼26% and â¼32% increase, respectively), (iv) new species types of â¼440 co-cultured microbes and â¼420 engineered microbes, (v) new data of â¼66 600 NPs without experimental activity values but with estimated activity profiles from the established chemical similarity tool Chemical Checker, (vi) new data of the computed drug-likeness properties and the absorption, distribution, metabolism, excretion and toxicity (ADMET) properties for all NPs. NPASS update version is freely accessible at http//bidd.group/NPASS.
Texto completo:
1
Base de dados:
MEDLINE
Assunto principal:
Produtos Biológicos
/
Bases de Dados Factuais
/
Pesquisa Biomédica
Idioma:
En
Revista:
Nucleic Acids Res
Ano de publicação:
2023
Tipo de documento:
Article
País de afiliação:
China