@article{Thakur_Vadhera_Yadav_2020, title={COMBATING SARS-COV-19 BY PHYTOCHEMICALS: AN IN SILICO STUDY}, volume={8}, url={https://journals.innovareacademics.in/index.php/ijls/article/view/38135}, abstractNote={<p><strong>Objective: </strong>The objective of the study was to identify the potential lead phytochemical compounds that can be targeted against the severe acute respiratory coronavirus, 2019 (SARS-CoV-19) main protease (6LU7).</p> <p><strong>Method: </strong>A total of 191 phytochemicals from the Phytochemical and Drug Target Database (PDTDB) were retrieved and screened against SARS-CoV-19 protease by employing computational molecular docking studies.</p> <p><strong>Results: </strong>Our molecular docking results reveal that compounds ergosterol peroxide, punicalin, oleanolic acid, naringin, and diosmin are showing a very good affinity for coronavirus disease, 2019 (COVID-19) main protease and can be explored further as the lead candidate.</p> <p><strong>Conclusion: </strong>Computational studies of phytochemicals library against 6LU, a SARS-CoV-19 main protease led to the determination of compounds with the best theoretical affinity. Further, more target information of these compounds is needed for drug intervention, rational drug design, <em>in vitro </em>and <em>in vivo </em>evaluations, and final preparation in terms of clinical trial so that they can be used to combat the novel virus SARS-CoV-19.</p>}, number={4}, journal={Innovare Journal of Life Sciences}, author={Thakur, Lovnish and Vadhera, Prerna and Yadav, Nikku}, year={2020}, month={Jul.}, pages={1–4} }