Profiling Chemobiological Connection between Natural Product and Target Space Based on Systematic Analysis.

ABSTRACT: Natural products provide valuable starting points for new drugs with unique chemical structures. Here, we retrieve and join the LOTUS natural product database and ChEMBL interaction database to explore the relations and rhythm between chemical features of natural products and biotarget spaces. Our analysis revealed relations between the biogenic pathways of natural products and species taxonomy. Nitrogen-containing natural products were more likely to achieve high activity and have a higher potential to become candidate compounds. An apparent trend existed in the target space of natural products originating from different biological sources. Highly active alkaloids were more related to targets of neurodegenerative or neural diseases. Oligopeptides and polyketides were mainly associated wit

SUBMITTER: Wang D 

PROVIDER: S-EPMC10378764 | biostudies-literature | 2023 Jul

REPOSITORIES: biostudies-literature