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Demonstration of the Sequence Alignment to Predict Across Species Susceptibility Tool for Rapid Assessment of Protein Conservation
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针对吗啡和海洛因依赖的药物重新使用:分子对接,DFT,基于MM-GBSA的MD模拟研究

Jonaid Ahmad Malik1, Mushtaq Ahmad Wani2, Mohammad Ovais Dar3

  • 1Immunology Laboratory, Department of Biomedical Engineering, Indian Institute of Technology Ropar, Rupnagar, 140001 India.

In silico pharmacology
|April 21, 2025
PubMed
概括

研究人员确定了vilazodone,indinavir和lorazepam作为对吗啡和海洛因依赖的潜在治疗方法. 这些FDA批准的药物显示出通过计算和分子分析扭转药物依赖的希望.

关键词:
停靠对接 停靠对接药物依赖 药物依赖 药物依赖药物重新定位是药物重新定位.模拟MD的模拟方法

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