Factor XIa Inhibitor Compounds for Thrombosis Treatment
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Solution Overview
Problem
Current methods for inhibiting Factor XIa and plasma kallikrein are not sufficiently effective in preventing thrombosis and hypercoagulability, and there is a need for compounds that can selectively target these enzymes to treat thrombotic and fibrotic conditions.
Innovation Solution
Development of compounds of Formula I, which are selective inhibitors of Factor XIa and plasma kallikrein, allowing for the treatment of thromboses, embolisms, and hypercoagulability by forming pharmaceutical compositions that can be used alone or in combination with other therapeutic agents.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Reliability
If existing methods for inhibiting Factor XIa and plasma kallikrein are used, then some level of inhibition is achieved, but the inhibition is not sufficiently effective in preventing thrombosis andhypercoagulability
Solution Approach 1:
The patent applies parameter changes by modifying the chemical structure of inhibitors to achieve optimal binding affinity and selectivity for Factor XIa and plasma kallikrein. The compounds of Formula I incorporate specific substituents (R1-R6 groups) that optimize the inhibitory activity, transforming the inhibition mechanism to be sufficiently effective in preventing thrombosis andhypercoagulability.
Solution Approach 2:
The invention uses composite molecular structures combining multiple functional groups within the inhibitor compounds. The compounds integrate various chemical moieties (aromatic rings, heterocyclic structures, carbonyl groups) that work synergistically to achieve dual inhibition of Factor XIa and plasma kallikrein, thereby resolving the contradiction between existing inhibition methods and effective thrombosis prevention.
2Reliability
If selective inhibitors of Factor XIa and plasma kallikrein are developed, then therapeutic effectiveness is improved, but compound complexity increases
Solution Approach 1:
The patent applies universality by designing compounds that can inhibit both Factor XIa and plasma kallikrein through a single molecular structure. The compounds of Formula I serve dual therapeutic functions: preventing thrombosis via Factor XIa inhibition and reducing inflammation via plasma kallikrein inhibition, thereby achieving multiple therapeutic effects without requiring separate complex inhibitor molecules.
Solution Approach 2:
The invention applies local quality by incorporating specific functional groups at particular positions within the molecular structure. The substituents (R1-R6) are strategically positioned to interact with specific binding sites of the target enzymes, ensuring selective and effective inhibition while maintaining manageable molecular complexity through localized chemical modifications.
Applied Scientific Principles
This section explains which scientific principles are used to turn an abstract innovation direction into a practical engineering solution.
Function Achieved in This Case
The compounds effectively inhibit Factor XIa and plasma kallikrein, providing therapeutic benefits in treating thrombotic and fibrotic conditions, including preventing thrombus formation and reducing inflammation, thereby addressing the limitations of existing treatments.
Implementation Method 1
The compounds of Formula I are selective Factor XIa inhibitors or dual inhibitors of Factor XIa and plasma kallikrein
Data Source
AI summary
The present invention provides a compound of Formula (I) (structurally represented) and pharmaceutical compositions comprising one or more said compounds, and methods for using said compounds for treating or preventing thromboses, embolisms, hypercoagulability or fibrotic changes. The compounds are selective Factor XIa inhibitors or dual inhibitors of Factor XIa and plasma kallikrein.