天然化合物作为潜在的抗新冠病毒药物

N. Rani, Randhir Singh, Praveen Kumar, Prerna Sharma, Vikas Sharma
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摘要

并已被世卫组织宣布为国际关注的突发公共卫生事件。已经采用了一些治疗策略来对付这种流行疾病。但仍需要最合适的治疗药物。为了寻找抗COVID - 19治疗方案,采用分子对接方法,鉴定可能具有治疗COVID - 19潜力、作用于特定靶点并具有选择机制的天然化合物。我们的目标是通过虚拟筛选从自然资源中鉴定出潜在的抗covid - 19化合物,其中刺突糖蛋白蛋白被认为是虚拟抑制。利用Molergo虚拟Docker进行分子对接,从不同植物来源中筛选出35个化合物,并在酶囊中进行对接。对接结果表明,部分化合物具有较好的抗病毒效力,可进一步用于开发新的药物方案。结论。天然来源的化合物可能是一个很好的靶点,可以作为治疗这种可怕疾病的先导化合物。
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Natural Compounds as Potential Anti-COVID Agent
health crisis in the world and has been declared a public health emergency of international concern by WHO. A number of treatment strategies have been utilized to encounter the prevailing disease. But still the need of most appropriate therapeutic agent is still awaited. In search of anti-COVID treatment regimen, molecular docking approach was used to identify the natural compounds which may have potential for treatment of COVID and acts on specific target and possess selective mechanism. Our goal is to identify the potential anti-COVID compounds from the natural resources via virtual screening and protein of spike glycoprotein was considered as virtual inhibition. Molecular docking was carried out by using Molergo Virtual Docker. 35 compounds from different plant sources were selected and docked in the enzyme pocket. Results. The docking result revealed that some of the compounds exhibited good potency against the virus and can be used further for developing new drug regimen. Conclusion. The compounds of natural origin could be a good target and can be used as lead compounds for the treatment of this dreadful disease.
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来源期刊
Anti-Infective Agents
Anti-Infective Agents Pharmacology, Toxicology and Pharmaceutics-Pharmacology
CiteScore
1.50
自引率
0.00%
发文量
47
期刊介绍: Anti-Infective Agents publishes original research articles, full-length/mini reviews, drug clinical trial studies and guest edited issues on all the latest and outstanding developments on the medicinal chemistry, biology, pharmacology and use of anti-infective and anti-parasitic agents. The scope of the journal covers all pre-clinical and clinical research on antimicrobials, antibacterials, antiviral, antifungal, and antiparasitic agents. Anti-Infective Agents is an essential journal for all infectious disease researchers in industry, academia and the health services.
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