AKT3 inhibitor and screening method, pharmaceutical composition and application thereof
By optimizing the structure of AKT3 target protein and combining the inhibitor binding mode in the AKT1 crystal structure, candidate compounds with specific binding bias were screened out, and AKT3 inhibitors with high binding free energy were finally selected, solving the problem of difficulty in developing selective small-molecule AKT3 inhibitors in the prior art, and achieving effective inhibition and anti-tumor effects on AKT3.
CN118026950BActive Publication Date: 2025-03-28SHANGHAI TOPSCIENCE CO LTD
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Patent Information
- Application Number
- CN202410148717.4
- Authority / Receiving Office
- CN · China
- Patent Type
- Patents(China)
- Current Assignee / Owner
- Filing Date
- 2024-02-01
- Publication Date
- 2025-03-28
- Estimated Expiration
- 2044-02-01
AI Technical Summary
Technical Problem
The prior art has difficulty in developing selective small molecule AKT3 inhibitors, resulting in difficulties in treating a variety of cancers.
Method used
By optimizing the structure of AKT3 target protein and combining the inhibitor binding mode in the AKT1 crystal structure, candidate compounds with specific binding bias were screened out, and AKT3 inhibitors with high binding free energy were finally selected.
Benefits of technology
Effective inhibition of AKT3 was achieved, showing good anti-tumor effects, especially in inhibiting the proliferation of SNU-387, MCF-7 and OVCAR8 cells.
✦ Generated by Eureka AI based on patent content.
Abstract
The present application is applicable to the field of biomedical technology, and provides an AKT3 inhibitor and its screening method, pharmaceutical composition, and application, wherein the AKT3 inhibitor includes a compound as shown in Formula I or a pharmaceutically acceptable enantiomer, salt, or solvate thereof: The AKT3 inhibitor provided in the present application can inhibit tumor cell proliferation, has a good anti-tumor effect, and has high research value.
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