RORγ Modulator Compounds With Tuned Physicochemical Properties
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Solution Overview
Problem
There is a need for potent modulators of RORgamma receptors with improved physicho-chemical properties to treat inflammatory, metabolic, and autoimmune diseases.
Innovation Solution
Development of compounds of Formula (I) and their stereoisomers or pharmaceutically acceptable salts, which can modulate the activity of RORα and/or RORγ, for use in treating diseases such as asthma, acne, chronic obstructive pulmonary disease (COPD), bronchitis, atherosclerosis, and autoimmune disorders.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Reliability
If compounds are developed to modulate RORgamma receptors, then therapeutic benefits for inflammatory and autoimmune diseases are achieved, but the compounds require improved physicochemical properties to enhance potency and efficacy
Solution Approach 1:
The patent applies parameter changes by systematically modifying the physicochemical properties of RORgamma modulator compounds through structural optimization. Specific molecular parameters such as lipophilicity, molecular weight, and functional group composition are adjusted to enhance potency and therapeutic efficacy while maintaining acceptable pharmacokinetic profiles
Solution Approach 2:
The patent employs composite material principles by creating hybrid molecular structures that combine different functional moieties within single RORgamma modulator compounds. These composite structures integrate heteroaryl groups, alkyl chains, and various substituents to achieve improved physicochemical properties and enhanced receptor binding affinity
2Adaptability or versatility
If a broad range of ROR modulators is developed to treat multiple diseases, then versatility in treatment is improved, but the complexity of the compound series increases
Solution Approach 1:
The patent applies universality by designing a core molecular scaffold that can serve multiple therapeutic indications including inflammatory diseases, autoimmune disorders, and metabolic conditions. The modular structure allows the same basic framework to be adapted for treating diverse conditions such as asthma, psoriasis, and type 2 diabetes through targeted structural modifications
Solution Approach 2:
The patent employs segmentation by dividing the molecular structure into distinct functional segments or modules that can be independently optimized. The compound series is organized around a core structure with separable substituent positions (R1-R6) that can be systematically varied to tune activity and selectivity for different disease indications
Data Source
AI summary
Disclosed are compounds active towards nuclear receptors, pharmaceutical compositions containing the compounds and use of the compounds in therapy.