1st International and 10th National Iranian Conference on Bioinformatics
Home Accepted Papers
Meta-Analysis of the Microarray Expression Data and Molecular Docking of the Secondary Metabolites of the Medicinal Plants (licorice, Echinacea Angustifolia, Ginseng, ) to Determine Their Active Ingredients Against SARS-CoV-2
Paper ID : 1380-ICB10
Authors:
Afifeh Hajipour *1, Masoud Tohidfar2, Yousef Saeedi Honar2
1دانشگاه شهید بهشتی
2دانشگاه شهید بهشتی تهران ایران
Abstract:
Coronaviruses are viruses that often cause cold-like symptoms in the respiratory system. A number of them, such as SARS and MERS in recent years and COVID-19 since January 2019, have killed thousands of people and caused many pandemics. Medicinal plants are used to treat a variety of ailments, including infectious diseases. The aim of this study was to determine the genes of effective antiviral compounds in the medicinal plants of licorice, Echinacea angustifolia, ginseng, and chicory coffee against such symptoms as pulmonary embolism caused by coronavirus. In this research, first, meta-analysis of the secondary metabolites of the mentioned plants on the human species was done and their key proteins were identified. Then, the interaction of the proteins was assessed in the STRING database and the Cytoscape software and PANTHER database were applied for obtaining the candidate genes and studying their ontology, respectively. The expressions of the genes were measured by drawing HeatMap. The meta-analysis resulted in identifying 14 genes related to the immune system and blood coagulation factors that would cause blood clotting by converting fibrinogen to fibrin and activating platelets. Then, the extracts of the 4 mentioned plants, whose antiviral and antimicrobial effects had been proven, were extracted from the Pubchem database for performing docking and their interaction was evaluated by using the STRING database. Afterwards, the results obtained from the STRING server were assessed in the Cytoscape software and (F10) and (F2) as receptors were extracted from the Protein Data Bank (PDB) database. Finally, the receptor-ligand docking was performed and its validation was confirmed by the ligand-protein server. According to the results, the antiviral extracts of the mentioned plants can be used as inhibitors of the two mentioned coagulation factors, which convert fibrinogen to fibrin and activate platelets, and prevent the danger of Pulmonary Embolism (PE).
Keywords:
SARS-CoV 2, microarray, molecular docking, drug design, medicinal plant
Status : Paper Accepted (Poster Presentation)