Formula I Compound Scaffolds for Multi-Target RAS Modulation
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Solution Overview
Problem
Current treatments for cancers, fibrotic diseases, and inflammatory diseases lack effective compounds that can modulate the activity of RAS superfamily proteins, leading to inadequate therapeutic outcomes.
Innovation Solution
Development of compounds of Formula I and Formula II, which include various substituents and functional groups, to interact with RAS superfamily proteins, thereby modulating their activity and providing therapeutic benefits.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Reliability
If existing treatments are used for cancers, fibrotic diseases, and inflammatory diseases, then current therapeutic options are available, but the activity of RAS superfamily proteins cannot be effectively modulated leading to inadequate therapeutic outcomes
Solution Approach 1:
The patent modifies molecular parameters of the compound structure (Formula I) by varying substituents at specific positions (R1A-R17A, R8A-R10A) to optimize interaction with RAS superfamily proteins. This systematic parameter changes approach enables effective modulation of protein activity while maintaining therapeutic efficacy, resolving the contradiction between reliable therapeutic outcomes and adaptable protein modulation.
2Adaptability or versatility
If compounds of Formula I are developed with specific substituents, then RAS superfamily protein activity can be modulated, but the complexity of compound structure increases
Solution Approach 1:
The compound structure is segmented into a core scaffold (Formula I) with distinct substituent positions (R1A-R17A, R8A-R10A). This segmentation allows independent optimization of each region for specific protein interactions while maintaining overall structural manageability. The modular approach enables effective RAS superfamily protein modulation without excessive structural complexity.
Solution Approach 2:
The Formula I compound structure is designed with universal interaction motifs that can modulate multiple RAS superfamily proteins (Ras, Rab, Rho, Arf, Ran) through a single molecular framework. This multi-functionality approach achieves broad protein activity modulation without requiring separate complex structures for each target, thereby reducing overall structural complexity while enhancing adaptability.
Data Source
AI summary
Provided herein are compounds of Formula I, or a pharmaceutically acceptable form thereof, and pharmaceutical compositions comprising the same. Also provided herein methods of modulating the activity of cellular targets by administering to a subject a compound of Formula I, or a pharmaceutically acceptable form thereof. Further provided herein are methods of treating cancer, fibrotic diseases, and inflammatory diseases by administering to a subject a compound of or a pharmaceutically acceptable form thereof.