Fragment Library of Natural Products and Compound Databases for Drug Discovery.

ABSTRACT: Natural products and semi-synthetic compounds continue to be a significant source of drug candidates for a broad range of diseases, including coronavirus disease 2019 (COVID-19), which is causing the current pandemic. Besides being attractive sources of bioactive compounds for further development or optimization, natural products are excellent substrates of unique substructures for fragment-based drug discovery. To this end, fragment libraries should be incorporated into automated drug design pipelines. However, public fragment libraries based on extensive collections of natural products are still limited. Herein, we report the generation and analysis of a fragment library of natural products derived from a database with more than 400,000 compounds. We also report fragment libraries of a l

SUBMITTER: Chavez-Hernandez AL 

PROVIDER: S-EPMC7694623 | biostudies-literature | 2020 Nov

REPOSITORIES: biostudies-literature