FXR Agonist Compounds Modulating Receptor Activity
Find Innovative SolutionsGenerate Solutions
Solution Overview
Problem
Current treatments for FXR-mediated conditions, such as dyslipidemia and liver diseases, lack effective and improved therapeutic options despite advances in FXR agonists.
Innovation Solution
Development of novel compounds defined by specific chemical formulas (I, II, III, IV, and V) that act as FXR agonists or partial agonists, which can be used as pharmaceuticals to modulate FXR activity and treat related disorders.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Reliability
If conventional FXR agonists are used for treating FXR-mediated conditions, then some therapeutic effect is achieved, but the therapeutic outcomes are insufficient and lack effective improvement
Solution Approach 1:
The patent applies parameter changes by systematically varying chemical structures of FXR agonists through different substituents (R1-R6), ring systems, and molecular configurations to optimize binding affinity and therapeutic efficacy, thereby improving reliability while maintaining diversity of therapeutic options
Solution Approach 2:
The patent employs composite materials by creating hybrid molecular structures that combine different pharmacophore elements and structural motifs to achieve enhanced FXR modulation, resulting in improved therapeutic effectiveness and expanded adaptability for treating various FXR-mediated conditions
2Adaptability or versatility
If existing FXR agonists are developed, then some therapeutic options are available, but there remains significant room for improvement in treatment efficacy
Solution Approach 1:
The patent utilizes parameter changes by optimizing key molecular parameters including substituent types, ring sizes, linker lengths, and stereochemistry to enhance FXR binding affinity and selectivity, thereby improving treatment efficacy while preserving therapeutic option availability
Solution Approach 2:
The patent applies dynamics by designing flexible molecular structures with rotatable bonds and conformational variability that allow optimal interaction with FXR binding pockets, enhancing treatment efficacy while maintaining diverse therapeutic options for different clinical scenarios
Data Source
AI summary
The present invention relates to compounds of Formula I,a stereoisomer, enantiomer, a pharmaceutically acceptable salt or an amino acid conjugate thereof; wherein variables are as defined herein; and their pharmaceutical compositions, which are useful as modulators of the activity of Farnesoid X receptors (FXR).