Chromene Derivatives Inhibit Wnt Pathway
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Solution Overview
Problem
There is a strong need for novel compounds that can modulate the Wnt signaling pathway to treat disorders and diseases associated with aberrant activation, particularly cancer, as existing approaches have limitations in effectively inhibiting aberrant Wnt signaling.
Innovation Solution
Development of compounds with the general formula (IIc), which include specific structural elements such as various substituents and functional groups, to inhibit the Wnt signaling pathway by interacting with proteins involved in the pathway, thereby blocking the formation of Tcf-beta-catenin complexes and reducing aberrant cell growth.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Reliability
If existing approaches are used to inhibit Wnt signaling, then some level of pathway modulation is achieved, but the effectiveness is insufficient to adequately treat cancers and disorders associated with aberrant Wnt activation
Solution Approach 1:
The patent applies parameter changes by systematically varying the chemical structure of chromene derivatives, specifically modifying substituents at different positions (R1, R2, R3, R4, R5, R6, R7, R8) and their configurations to optimize Wnt pathway inhibition effectiveness. This includes changing molecular weight, lipophilicity, and steric properties to enhance binding affinity to Wnt pathway components while maintaining adequate availability of novel compounds for treatment
2Reliability
If novel chromene derivatives with specific structural elements are developed, then the ability to modulate Wnt signaling is enhanced, but the complexity of compound structure increases
Solution Approach 1:
The patent applies segmentation by dividing the chromene derivative structure into distinct functional regions with specific substituents at defined positions. The core chromene structure is segmented with specific groups at positions R1-R8, allowing independent optimization of each region's function while maintaining overall pathway modulation capability. This modular approach enhances Wnt modulation without excessive complexity
Solution Approach 2:
The patent applies local quality by assigning specific functional properties to different parts of the molecule. For example, certain substituents at specific positions are designed to provide hydrogen bonding capability, while others provide hydrophobic interactions or steric effects. This localized functional assignment enhances overall Wnt pathway modulation capability through optimized local interactions
Data Source
AI summary
Compounds of formula (IIc); wherein X3 and X4 independently from each other are N or CR8 wherein R8 may be same or different; Y1, Y2, Y3 and Y4 independently from each other are N or CR9 wherein R9 may be same or different and wherein up to 3 of the group Y1, Y2, Y3 and Y4 may be N; their solvates, hydrates, and pharmaceutically acceptable salts, their use for modulating the Wnt signalling pathway activity and their use as a medicament, preferably for the treatment of cancer.