Extensive Reliability Evaluation of Docking-Based Target-Fishing Strategies.

ABSTRACT: The development of target-fishing approaches, aimed at identifying the possible protein targets of a small molecule, represents a hot topic in medicinal chemistry. A successful target-fishing approach would allow for the elucidation of the mechanism of action of all therapeutically interesting compounds for which the actual target is still unknown. Moreover, target-fishing would be essential for preventing adverse effects of drug candidates, by predicting their potential off-targets, and it would speed up drug repurposing campaigns. However, due to the huge number of possible protein targets that a small-molecule might interact with, experimental target-fishing approaches are out of reach. In silico target-fishing represents a valuable alternative, and examples of receptor-based approaches

SUBMITTER: Lapillo M 

PROVIDER: S-EPMC6429110 | biostudies-literature | 2019 Feb

REPOSITORIES: biostudies-literature