Computational prediction of small molecules with predicted binding to FGFR3 and testing biological effects in bone cells.

ABSTRACT: Activating anabolic receptor-mediated signaling is essential for stimulating new bone formation and for promoting bone healing in humans. Fibroblast growth factor receptor (FGFR) 3 is reported to be an important positive regulator of osteogenesis. Presently, recombinant proteins are used to stimulate FGFR3 function but have limitations for therapy due to expense and stability. Therefore, there is a need for identification of novel small molecules binding to FGFR3 that promote biological function. In silico molecular docking and high-throughput virtual screening on zinc database identified seven compounds predicted to bind to an active site within the βC'-βE loop, specific to FGFR3. All seven compounds fall within an acceptable range of ADME/T properties. Four compounds showed a 30-6

SUBMITTER: Mohan S 

PROVIDER: S-EPMC8326436 | biostudies-literature | 2021 Jul

REPOSITORIES: biostudies-literature