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Updated: Jan 31, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

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促进类风湿性关节炎的药物重定位:整合蛋白质-蛋白质相互作用,分子对接和动力学模拟,用于有针对性的治疗方法

Krishna Swaroop Akey1, Bharat Kumar Reddy Sanapalli2, Dilep Kumar Sigalapalli3

  • 1Department of Pharmaceutical Chemistry, Shri Vile Parle Kelavani Mandal's College of Pharmacy, Shirpur 425421, MH, India.

Current issues in molecular biology
|January 30, 2026
PubMed
概括

这项研究重新使用了FDA批准的类风湿性关节炎 (RA) 治疗药物. 计算方法确定了利芬素,特尔米沙坦,达纳和皮莫齐德作为向关键RA蛋白质的有希望的候选人.

关键词:
模拟MD的模拟方法药物重用是为了改变药物的用途.分子对接的分子对接.网络药理学 网络药理学类风湿性关节炎 类风湿性关节炎

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