N. Rani, Randhir Singh, Praveen Kumar, Prerna Sharma, Vikas Sharma
{"title":"Natural Compounds as Potential Anti-COVID Agent","authors":"N. Rani, Randhir Singh, Praveen Kumar, Prerna Sharma, Vikas Sharma","doi":"10.2174/2211352520666220404093338","DOIUrl":null,"url":null,"abstract":"\n\nhealth 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.\n\n\n\nMolecular docking was carried out by using Molergo Virtual Docker. 35 compounds from different plant sources were selected and docked in the enzyme pocket.\nResults. 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. \nConclusion. The compounds of natural origin could be a good target and can be used as lead compounds for the treatment of this dreadful disease.\n","PeriodicalId":7951,"journal":{"name":"Anti-Infective Agents","volume":" ","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2022-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Anti-Infective Agents","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.2174/2211352520666220404093338","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"Medicine","Score":null,"Total":0}
引用次数: 0
Abstract
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.
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.