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Updated: Feb 15, 2026

Use of Viral Entry Assays and Molecular Docking Analysis for the Identification of Antiviral Candidates against Coxsackievirus A16
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在癌症治疗中探索伊米达佐[1,2-a]皮里丁杂交物:ADMET分析,分子对接,MD模拟和DFT计算

Drashti Shah1, Afzal Nagani1,2, Moksh Shah1

  • 1Department of Pharmaceutical Chemistry, Parul Institute of Pharmacy, Parul University, Vadodara, Gujarat, India.

Scientific reports
|February 13, 2026
PubMed
概括

计算方法确定了新型的imidazo[1,2-a]pyridine-quinazoline杂交物作为林依赖激酶2 (CDK2) 的潜在抑制剂. 化合物AD20和AD28在向癌症治疗的开发方面表现有前途.

关键词:
在CDK2中使用CDK2.密度函数理论密度函数理论伊米达佐[1,2-a]皮里丁杂交物分子对接是分子对接.分子动力学模拟模型

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