TY - JOUR T1 - Molecular Docking Analysis Of Some Phytochemicals On Two SARS-CoV-2 Targets: Potential Lead Compounds Against Two Target Sites of SARS-CoV-2 Obtained from Plants JF - bioRxiv DO - 10.1101/2020.03.31.017657 SP - 2020.03.31.017657 AU - Amaka Ubani AU - Francis Agwom AU - Oluwatoyin RuthMorenikeji AU - Shehu Nathan AU - Pam Luka AU - Arinze Umera AU - Usal Umar AU - Simeon Omale AU - Nnaemeka Emmanuel Nnadi AU - John Chineye Aguiyi Y1 - 2020/01/01 UR - http://biorxiv.org/content/early/2020/06/09/2020.03.31.017657.abstract N2 - COV spike (S) glycoprotein and Mpro are two key targets that have been identified for vaccines and drug development against the COVID-19 disease. Virtual screening of some compounds of plants origin that have shown antiviral activities were carried out on the two targets, 6lu7 and 6vsb by docking with the PyRx software. The binding affinities were compared with other compounds and drugs already identified as potential ligands for 6lu7 and 6vsb as well as Chloroquine and hydroxychloroquine. The docked compounds with best binding affinities were also filtered for drug likeness using the SwissADME and PROTOX platforms on the basis of Physicochemical properties and toxicity respectively. The docking results revealed that scopodulcic acid and dammarenolic acid had the best binding affinity on the s-glycoprotein and Mpro protein targets respectively. Silybinin also demonstrated a good binding affinity to both protein targets making it a potential candidate for further evaluation as repurposed candidate for SARS COV2 with likelihood of having a multitarget activity.Competing Interest StatementThe authors have declared no competing interest. ER -