Identification of small molecule inhibitors targeting FGFR through molecular docking-based screening.

ABSTRACT:

Background

FGFRs genetic alterations such as mutations, amplifications, and chromosomal translocations are prevalent in cancers, leading to the initiation and progression of tumors by enhancing FGFR signaling. The substantial problems arising from the lack of decisive clinical evidence have resulted in the cessation of some inhibitor applications, and identifying effective small molecule inhibitors that selectively target FGFRs can advance the therapy of cancers driven by FGFRs abnormalities.

Methods

The three-dimensional structure of the FGFR1/2/3/4 protein and the amino acid positions within the tyrosine kinase domain were downloaded from the PDB database, and small molecule data were extracted from the ZINC15 database. Then, we used molecular docking and dynamics simulati

SUBMITTER: Hou W 

PROVIDER: S-EPMC12893941 | biostudies-literature | 2026

REPOSITORIES: biostudies-literature