Bile Acids Are Potential Negative Allosteric Modulators of M1 Muscarinic Receptors.

ABSTRACT: The proposed physiological roles of bile acids have expanded beyond the digestion of fats to encompass cell signaling via the activation of a variety of nuclear and plasma membrane receptors in multiple organ systems. The current in silico study was inspired by previous observations from our group and others that bile acids interact functionally with cardiac, pulmonary, and gastrointestinal muscarinic receptors and more recent work demonstrating allosteric binding of cholesterol, the parent molecule for bile acid synthesis, to M₁ muscarinic receptors (M₁R). Here, we computationally tested the hypothesis that bile acids can allosterically bind to M₁R and thereby modulate receptor activation. Utilizing de novo site identification by the ligand competitive sat

SUBMITTER: Yu W 

PROVIDER: S-EPMC12467027 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature