Structure- and Ligand-Based Virtual Screening for Identification of Novel TRPV4 Antagonists.

ABSTRACT: Transient receptor potential vanilloid (TRPV) 4 is involved in signaling pathways specifically mediating pain and inflammation, making it a promising target for the treatment of various painful and inflammatory conditions. However, only one drug candidate targeting TRPV4 has entered the clinical trials. To identify potential TRPV4 inhibitors for drug development, we screened a library of ion channel-modulating compounds using both structure- and ligand-based virtual screening approaches. Since a high-resolution experimental structure of the human TRPV4 (hTRPV4) was not available during this study, we used a comparative model of hTRPV4 for the structure-based screening by molecular docking. The ligand-based virtual screening was performed using the pharmacophoric features of two known TRPV4

SUBMITTER: Saadabadi A 

PROVIDER: S-EPMC11722135 | biostudies-literature | 2024 Dec

REPOSITORIES: biostudies-literature