针对SARS-CoV2的多药学引导药物重新定位方法
Esther Jamir1,2, Himakshi Sarma1, Lipsa Priyadarsinee1,2
1Advanced Computation and Data Sciences Division, CSIR-North East Institute of Science and Technology, Jorhat, Assam, India.
PloS one
|August 9, 2023
概括
药物重定向通过对SARS-CoV-2蛋白质进行FDA批准药物的查,确定了潜在的COVID-19治疗方法. 网络药理学揭示了多重向药物,提供了针对病毒性疾病的新策略.
科学领域:
- 计算机化药物发现.
- 病毒学 病毒学
- 药理学 药理学 是一个学科.
背景情况:
- 药物重新定位是识别新型治疗方法的关键策略,用于新出现的传染病,如COVID-19.
- 在药物发现方面,SARS-CoV-2带来了重大挑战,包括药物耐药性的潜力.
研究的目的:
- 将FDA批准的药物进行虚拟选,以检测对SARS-CoV-2的潜在活性.
- 使用多药理学和网络药理学方法识别多向药物.
- 阐明潜在的作用机制,并确定COVID-19的新型治疗点.
主要方法:
- 对24种SARS-CoV-2蛋白质进行了FDA批准的4193种药物的广泛虚拟查.
- 对接分数分析来分类药物.
- 应用多药理学和网络药理学来识别多向药物.
- 对与已识别的药物相关的基因的途径分析.
主要成果:
- 排名第一的药物显示了治疗癌症,疼痛,神经,病毒和细菌疾病的治疗指标.
- 确定了几种多向药物,包括二欧戈他和维尼托克拉克斯.
- 途径分析提供了对SARS-CoV-2中药物机制和潜在治疗点的见解.
结论:
- 虚拟查和网络药理学有效地识别了COVID-19的重用药物.
- 多重向药物在抗病毒疗法中为克服耐药性提供了一个有希望的策略.
- 该研究确定了潜在的候选药物和生物途径,以便对SARS-CoV-2进行进一步调查.
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