1,720,963 research outputs found
QSAR and molecular modeling studies of baclofen analogues as GABA(B) agonists. Insights into the role of the aromatic moiety in GABA(B) binding and activation
No full textUnbinding pathways from the glucocorticoid receptor shed light on the reduced sensitivity of glucocorticoid ligands to a naturally occurring, clinically relevant mutant receptor
No full textQSAR and Molecular Modeling Studies of Baclofen Analogues as GABAB Agonists. Insights into the Role of the Aromatic Moiety in GABAB Binding Activation
No full textMolecular dynamics simulation of the ligand binding domain of farnesoid X receptor. Insights into helix-12 stability and coactivator peptide stabilization in response to agonist binding.
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In search for FXR gene selective modulators: from guggulsterone to side-chain modified bile acid derivatives
No full textNew more polar symmetrical choline kinase inhibitors II: Study of setting up a new scaffold for the cancer therapy
No full textBile Acid Derivatives as Ligands of the Farnesoid X Receptor. Synthesis, Evaluation, and Structure Activity Relationship of a Series of Body and Side Chain Modified Analogs of Chenodeoxycholic Acid
No full textThe farnesoid X receptor (FXR) is activated by endogenous bile acids (BAs) and plays a variety of physiological roles related to modulation of gene transcription. In particular, FXR positively regulates the cholesterol catabolism while feedback inhibits the BA synthesis by repressing the expression of the CYP7A and CYP8B genes. We have previously shown that 6alpha-ethyl-CDCA (6ECDCA) is a potent and selective FXR agonist. In this paper we report an extensive structure-activity relationship for a series of synthetic bile acids. Our results indicate that the 6alpha position plays a fundamental role in determining affinity and that the side chain of BA is amenable to a variety of chemical modification. Although none of the new derivatives is more potent than 6ECDCA, we show here that a wide variability in efficacy, from full agonists to partial antagonists, can be obtained
Back door modulation of the farnesoid X receptor: design, synthesis, and biological evaluation of a series of side chain modified chenodeoxycholic acid derivatives.
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