Probing In Silico the Benzimidazole Privileged Scaffold for the Development of Drug-like Anti-RSV Agents.

ABSTRACT: Targeting the fusion (F) protein has been recognized as a fruitful strategy for the development of anti-RSV agents. Despite the considerable efforts so far put into the development of RSV F protein inhibitors, the discovery of adequate therapeutics for the treatment of RSV infections is still awaiting a positive breakthrough. Several benzimidazole-containing derivatives have been discovered and evaluated in clinical trials, with only some of them being endowed with a promising pharmacokinetic profile. In this context, we applied a computational study based on a careful analysis of a number of X-ray crystallographic data of the RSV F protein, in the presence of different clinical candidates. A deepen comparison of the related electrostatic features and H-bonding motifs allowed us to pave th

SUBMITTER: Cichero E 

PROVIDER: S-EPMC8707824 | biostudies-literature | 2021 Dec

REPOSITORIES: biostudies-literature