作者
Seema A Kulkarni, Santhosh Kumar Nagarajan, Veena Ramesh, Velusamy Palaniyandi, S Periyar Selvam, Thirumurthy Madhavan
发表日期
2020/12/5
期刊
Journal of Molecular Structure
卷号
1221
页码范围
128823
出版商
Elsevier
简介
COVID-19, caused by SARS-CoV-2 has recently emerged as a global pandemic. Intense efforts are ongoing to find a vaccine or a drug to control the disease across the globe. Meanwhile, alternative therapies are also being explored to manage the disease. Phytochemicals present in essential oils are promising candidates which have been known to possess wide range of therapeutic activities. In this study, major components of several essential oils which are known for their antimicrobial properties have been docked against the S1 receptor binding domain of the spike (S) glycoprotein, which is the key target for novel antiviral drugs, to ascertain their inhibitory effects based on their binding affinities. It has been found that some monoterpenes, terpenoid phenols and phenyl propanoids such as anethole, cinnamaldehyde, carvacrol, geraniol, cinnamyl acetate, L-4-terpineol, thymol and pulegone from essential oils …
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