FASN Inhibitor Compounds Resolving Potency Specificity Trade-off
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Solution Overview
Problem
Current FASN inhibitors are not potent or specific enough to effectively target FASN activities, which are crucial in cancer, viral infections, obesity, and diabetes, highlighting an unmet need for more effective compounds.
Innovation Solution
Development of specific compounds, such as those described by formulas I, I-A, I-B, and I-C, which inhibit FASN activities, modulating cancer cell growth and proliferation, and treating various diseases including cancer, viral infections, obesity, and diabetes by administering these compounds or their pharmaceutical formulations.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Reliability
If existing FASN inhibitors are used, then some FASN inhibition activity is achieved, but the potency and specificity are insufficient to effectively target FASN activities
Solution Approach 1:
The patent modifies the chemical structure parameters of FASN inhibitors by introducing specific substituent groups (R1-C(=O)-N(R2)-C(=O)-Ar1) and varying molecular properties such as steric hindrance, electronic distribution, and hydrophobicity. These parameter changes enable the compounds to achieve both high potency (IC50 values in low micromolar range) and high specificity for FASN, resolving the contradiction between general inhibition activity and precise targeting capability
Solution Approach 2:
The patent creates composite molecular structures combining multiple functional groups (amide bonds, aromatic rings, heterocyclic systems) into a unified inhibitor framework. This composite approach allows the molecule to simultaneously engage multiple interaction points with the FASN active site, achieving both strong binding affinity (potency) and selective recognition (specificity) that neither simple nor previous complex structures could accomplish alone
Data Source
AI summary
The present invention relates to a list of specific 2-hydroxy-1-{4-[(4-phenylphenyl)carbonyl]piperazin-1-yl}ethan-1-one derivatives and related compounds as fatty acid synthase (FAS or FASN) inhibitors for treating cancer and pharmacutical compositions thereof . An illustrative compound of the invention is shown below: