PSC-db: A Structured and Searchable 3D-Database for Plant Secondary Compounds.

ABSTRACT: Plants synthesize a large number of natural products, many of which are bioactive and have practical values as well as commercial potential. To explore this vast structural diversity, we present PSC-db, a unique plant metabolite database aimed to categorize the diverse phytochemical space by providing 3D-structural information along with physicochemical and pharmaceutical properties of the most relevant natural products. PSC-db may be utilized, for example, in qualitative estimation of biological activities (Quantitative Structure-Activity Relationship, QSAR) or massive docking campaigns to identify new bioactive compounds, as well as potential binding sites in target proteins. PSC-db has been implemented using the open-source PostgreSQL database platform where all compounds with their com

SUBMITTER: Valdes-Jimenez A 

PROVIDER: S-EPMC7924326 | biostudies-literature | 2021 Feb

REPOSITORIES: biostudies-literature