TY - JOUR ID - 1898 TI - Investigate the inhibitory effects of plant secondary metabolites Compared with standard drugs on Mpro protease and spike glycoprotein SARS-CoV-2 by Molecular Docking JO - Cellular and Molecular Research (Iranian Journal of Biology) JA - CMR LA - en SN - 2383-2738 AU - Poy, Donya AU - Tohidfar, Masoud AU - Nasrollahzadeh, Mahda Sadat AD - PhD student of Biotechnology, College of Life Science and Biotechnology, Department of Biotechnology, Shahid Beheshti University, Tehran, I.R. of Iran AD - College of Life Science and Biotechnology, Department of Biotechnology, Shahid Beheshti University, Tehran, I.R. of Iran AD - Mashhad University of Medical Sciences, Department of Medicinal Chemistry,Pharmacy Faculty Y1 - 2020 PY - 2020 VL - 33 IS - 4 SP - 421 EP - 438 KW - "SARS-COV-2" KW - "Mpro proteinase" KW - "Spike glycoprotein" KW - "Phytochemical compounds" KW - "Molecular Docking" DO - N2 - The Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection is one of the common factors of mortality worldwide in the 21st century. A lot of research is being done in the world with the aim of introducing new and effective SARS-COV-2 antiviral compounds, especially herbal compounds. The purpose of this study to screening main protease (Mpro) inhibitors and spike glycoprotein from among plant phenolic and terpenoid compounds using bioinformatics tools.Three dimension and chemical structures of virus proteins and plant phenolic and terpenoid compounds were retrieval from Protein Data Bank and Pubchem database respectively. Finally, plant compounds on the main protease (Mpro) and virus S virus, molecular docking was investigated using iGemdock 2.1 software and then,In the next step, physicochemical properties of the candidate plant compounds for  permeability, solubility and gastrointestinal absorption were predicted using SwissADME software.4 terpenoid compounds, glycyrrhizic acid, Saikosaponin B2, Polyphyllin I and Withaferin A and 7 phenolic compounds, EGCG ، Rosmarinic acid ، Silibinin ، Chlorogenic acid ، Proanthocyanidin ، Procyanidin B2 , Anthocyanin with Strong binding energy compared to reference medicinal compounds such as Azithramycine and Remdesivir are good candidate for inhibiting spike Glycoprotein and the main protease of the virus (Mpro).According to results both phenolic and terpenoid compounds compared to standard chemical drugs had good inhibitory effects for Mpro proteinase and Spike glycoprotein virus and can be good candidates for in vitro and in vivo studies. UR - https://cell.ijbio.ir/article_1898.html L1 - https://cell.ijbio.ir/article_1898_7f89c36ff28285928feb31bdae960b57.pdf ER -