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VOL. 6, ISSUE 6 (2021)
An in-silico approach to essential oil phytochemicals of Curcuma amada Roxb. as potential inhibitor of Covid 19 protease
Authors
Sharon Stephen, Mariat George, Anita Joy, Dessy V J
Abstract
COVID 19 pandemic caused by SARS-CoV-2, has infected millions across the globe and is still holding the grip. The Scientific world is fast experimenting to find a much more effective vaccine or drug against the elusive virus. The plant derived drugs are always preferred because of their relatively low side effects and numerous other advantages. Phytochemicals present in the essential oil of Curcuma amada have potential for the development of prophylactics or therapeutics against COVID-19. Essential oil-based phytomedicines include of C. amanda: α-Farnesene, cis-β-Farnesene, Alloaromadendrene, Alpha-Curcumene, Alpha-Pinene, Camphene and others. In this study, drug-likeness properties and ADME of all the phytochemicals in Curcuma amada are determined, docked with selected the COVID 19 protease and compared it with hydrochloroquinine as well as chloroquinine phosphate through in silico approach. The study revealed that these molecules can bind with high affinity to the virus proteases like 5R7Y, 5R7Z, 5R80, 5R81 and 5R82. It is determined that they are more or less similar to commercially available drugs like hydroxychloroquinine and chloroquinine phosphate. Furthermore, these molecules satisfy Lipenski rule of five, and ADME which indicates the potential of these phytochemicals as candidates for further research as developing drug against COVID19. These phytochemicals can be explored more for its bioactivities.
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Pages:591-596
How to cite this article:
Sharon Stephen, Mariat George, Anita Joy, Dessy V J "An <em>in-silico </em>approach to essential oil phytochemicals of <em>Curcuma amada </em>Roxb. as potential inhibitor of Covid 19 protease ". International Journal of Botany Studies, Vol 6, Issue 6, 2021, Pages 591-596
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