Structure Modeling and Virtual Screening with HCAR3 to Discover Potential Therapeutic Molecules.

ABSTRACT: Background: Hydroxycarboxylic acid receptor 3 (HCAR3) is a receptor that is mainly expressed in human adipose tissue. It can inhibit lipolysis through the inhibition of adenylyl cyclase; thus, it is closely related to the regulation of lipids in the human body. This makes HCAR3 a compelling target for developing drugs against dyslipidemia. Notably, the reported active compounds for HCAR3 are all carboxylic acids. This observation is in line with the fact that ARG111 has been reported as the key residue to anchor the active compound in a closely related homologous protein-HCAR2. Methods: In this study, we aim to discover new chemicals, through virtual screening, that may bind with HCAR3. As there are several choices for the receptor conformation, cross-docking was conducted an

SUBMITTER: Liu Y 

PROVIDER: S-EPMC12472694 | biostudies-literature | 2025 Aug

REPOSITORIES: biostudies-literature