Molecular Modelling and Docking Simulation for Unravelling Medicinal Properties of Soor and Pakhoi, the Lesser-Known Traditional Drinks of Himalayas

ABSTRACT

With the spread of COVID-19, it has become a high need of finding out the drugs that can combat and prevent this deadly disease. Most of the researchers are finding suitable drugs by using coronavirus spike protein as a target. In this study, we have used alternate drug targets of the coronavirus and have used the phytochemicals of the alcoholic beverage of Tons Valley, Garhwal Himalayas called Soor and Pakhoi, to check whether the drink could act as an antiviral agent. For this purpose, modern computational techniques like molecular modelling and docking simulation with the help of iGEMDOCK software have been used in finding out the permissible results in the form of high docking interaction energy. Therefore, the specific binding of the phytochemicals with the viral protein could disrupt the natural targets of the virus with the viral proteins. Hence, Soor and Pakhoi can be a deterrent source for the coronavirus infection. © 2022, The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd.