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In Silico Approach to Identify Potential Inhibitors for Axl-Gas6 Signaling
Swathik Clarancia Peter1, Jayakanthan Mannu1, Premendu P Mathur2
1Department of Plant Molecular Biology and Bioinformatics, Centre for Plant Molecular Biology and Biotechnology, Tamil Nadu Agricultural University, Coimbatore, 641 003, India.
Abstract:
Axl-Gas6 signaling plays an important role in numerous cancers. Axl kinase, a member of receptor tyrosine kinase family is activated by different mechanisms with Gas6 as its major activator. Targeting the Axl with inhibitors may block the binding of Gas6 and further hinders the activation of Axl. This in turn inhibits the Axl-Gas6 signaling. Thus, inhibitors of the Axl kinase may serve as ideal drug candidates for treating many human cancers. In this study we carried out virtual screening of drug-like molecules from ZINC database to identify potential inhibitors for Axl kinase. Our virtual screening study showed that ZINC83758120, ZINC34079369, and ZINC83758121 are potential drug-like lead molecules to inhibit Axl kinase.
Insights
Researchers identified potential Axl kinase inhibitors for cancer therapy. Virtual screening of drug-like molecules revealed ZINC83758120, ZINC34079369, and ZINC83758121 as promising lead compounds to block Axl-Gas6 signaling.
Area of Science:
- Oncology
- Molecular Biology
- Drug Discovery
Background:
- Axl-Gas6 signaling is implicated in various human cancers.
- Axl kinase, a receptor tyrosine kinase, is activated by Gas6, promoting cancer progression.
- Inhibiting Axl kinase offers a potential therapeutic strategy for cancer treatment.
Purpose of the Study:
- To identify novel drug-like inhibitors of Axl kinase.
- To explore potential therapeutic agents targeting the Axl-Gas6 signaling pathway in cancer.
Main Methods:
- Virtual screening of small molecules from the ZINC database.
- Computational identification of potential Axl kinase inhibitors.
Main Results:
- Three compounds (ZINC83758120, ZINC34079369, ZINC83758121) were identified as potential Axl kinase inhibitors.
- These molecules demonstrated drug-like properties suitable for further investigation.
Conclusions:
- The identified compounds represent promising lead molecules for developing Axl kinase inhibitors.
- Targeting Axl-Gas6 signaling with these inhibitors may offer a new avenue for cancer therapy.
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