计算机设计药物输送系统在COVID-19中的进步:当前更新和未来交叉对话-一个关键的更新
Abu Mohiuddin1, Sumanta Mondal1
1GITAM University, Pharmaceutics, India.
Infectious disorders drug targets
|August 16, 2023
概括
计算方法加速了针对新冠病毒-2019 (COVID-19) 的小分子治疗方法的发现. 这些计算机辅助的方法有助于识别新的候选药物,并重新利用现有的药物来有效地对抗病毒.
科学领域:
- 药物的发现和开发.
- 计算化学是一种计算化学.
- 传染病研究传染病研究.
背景情况:
- 由于COVID-19的流行,疫苗和治疗方法的快速开发成为必要.
- 新兴的变种,如三角洲,带来了持续的挑战.
- 广泛的研究,包括超过13万份出版物,专注于了解和治疗COVID-19.
研究的目的:
- 探索用于发现COVID-19小分子治疗方法的关键计算方法.
- 突出计算机辅助药物设计在抗击疫情中的应用.
- 强调计算工具在产生可测试假设的药物发现中的作用.
主要方法:
- 在COVID-19研究文献中报告的计算和计算机辅助方法的审查.
- 分析识别新药候选药物的方法.
- 检查针对SARS-CoV-2的现有药物的重新使用策略.
主要成果:
- 计算方法在加速针对COVID-19的药物发现方面发挥了重要作用.
- 计算机辅助方法有助于识别和重新定位潜在的治疗方法.
- 开放科学和数据共享对于快速治疗发展至关重要.
结论:
- 计算工具对于在药物发现中生成可操作的假设至关重要.
- 计算方法的整合有助于制定有效的抗COVID-19策略.
- 继续应用这些方法对于未来的流行病准备是必不可少的.
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