Novel FXR Modulating Compounds for Bile Acid Homeostasis
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Solution Overview
Problem
Current FXR agonists are not sufficiently effective in treating various diseases mediated by the Farnesoid X Receptor (FXR), such as cholestatic conditions, liver fibrosis, and metabolic disorders, due to limitations in their ability to modulate bile acid homeostasis and signaling pathways.
Innovation Solution
Development of a novel compound according to Formula (1), which acts as an enantiomer, diastereomer, tautomer, solvate, or pharmaceutical acceptable salt, specifically designed to bind to the NR1H4 receptor, thereby acting as an FXR agonist or modulator to treat and prevent diseases associated with FXR-mediated conditions.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Reliability
If current FXR agonists are used to treat diseases mediated by FXR, then some therapeutic effect is achieved, but the effectiveness is insufficient due to limitations in modulating bile acid homeostasis and signaling pathways
Solution Approach 1:
The patent applies parameter changes by developing a novel compound with a specific molecular structure (Formula 1) that modifies the pharmacological parameters of FXR modulation. The compound features specific substituent groups (R1-R6, Y, Z) that can be varied to optimize binding affinity and selectivity, thereby improving therapeutic effectiveness while enhancing the ability to modulate bile acid homeostasis signaling pathways
Solution Approach 2:
The invention employs composite material principles by creating a complex molecular structure combining multiple functional groups and substituents in a single compound. This composite structure enables simultaneous interaction with multiple targets in the bile acid signaling pathway, achieving both improved therapeutic reliability and enhanced adaptability in modulating FXR-mediated processes
Data Source
AI summary
The present invention relates to compounds which bind to the NR1 H4 receptor (FXR) and act as agonists of FXR. The invention further relates to the use of the compounds for the preparation of a medicament for the treatment of diseases and/or conditions through binding of said nuclear receptor by said compounds and to a process for the synthesis of said compounds.