Online structure-based screening of purchasable approved drugs and natural compounds: retrospective examples of drug repositioning on cancer targets.

ABSTRACT: Drug discovery is a long and difficult process that benefits from the integration of virtual screening methods in experimental screening campaigns such as to generate testable hypotheses, accelerate and/or reduce the cost of drug development. Current drug attrition rate is still a major issue in all therapeutic areas and especially in the field of cancer. Drug repositioning as well as the screening of natural compounds constitute promising approaches to accelerate and improve the success rate of drug discovery. We developed three compounds libraries of purchasable compounds: Drugs-lib, FOOD-lib and NP-lib that contain approved drugs, food constituents and natural products, respectively, that are optimized for structure-based virtual screening studies. The three compounds libraries are impl

SUBMITTER: Lagarde N 

PROVIDER: S-EPMC6122352 | biostudies-literature | 2018 Aug

REPOSITORIES: biostudies-literature