NPASS database update 2023: quantitative natural product activity and species source database for biomedical research

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 similar to 95 000 records of the composition/concentration values of similar to 1 490 NPs/NP clusters in similar to 390 species, (ii) extended data of activity values of similar to 43 200 NPs against similar to 7 700 targets (similar to 40% and similar to 32% increase, respectively), (iii) extended data of similar to 31 600 species sources of similar to 94 400 NPs (similar to 26% and similar to 32% increase, respectively), (iv) new species types of similar to 440 co-cultured microbes and similar to 420 engineered microbes, (v) new data of similar to 66 600 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.