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Updated: Jul 29, 2025

Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors
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通过结合的多复杂基的药模拟,相互作用研究和分子动力学模拟来识别对CDK9酶的天然产品抑制剂

Amar Ghosh1, Shreya Mukherjee1, Prakash C Jha1

  • 1School of Applied Material Sciences, Central University of Gujarat, Gandhinagar, 382030, India.

Computers in biology and medicine
|May 27, 2023
PubMed
概括

研究人员通过模拟CDK9酶开发了新的抗癌药物. 虚拟查和分子动力学模拟确定了七个独特的支架,有可能开发新的CDK9抑制剂.

关键词:
在CDK9中,CDK9是CDK9.在MM-PBSASA中使用.分子对接是分子对接.分子动力学模拟的模拟.基于多种复杂的药理学.

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