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Affiliation

Ss. Cyril and Methodius University, Faculty of Computer Science and Engineering, Skopje, North Macedonia

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1 Papers

Finding Potential Inhibitors of COVID-19

Topics: Structural Bioinformatics; Visualization; Pharmaceutical Applications; Immuno- and Chemo-Informatics

Authors: Angela Kralevska ¹ , Marija Velichkovska ¹ , Viktor Cicimov ¹ , Tome Eftimov ^{1

;

2} and Monika Simjanoska ¹

Affiliations: ¹ Ss. Cyril and Methodius University, Faculty of Computer Science and Engineering, Skopje, North Macedonia , ² Computer Systems Department, Jožef Stefan Institute, Ljubljana, Slovenia

Digital Object Identifier: 10.5220/0010246900002865

Proceedings of BIOINFORMATICS 2021/BIOSTEC, ISBN: 978-989-758-490-9

Quick Abstract

COVID-19 is an infectious disease caused by virus SARS-CoV-2 that spread globally due to its high contagious nature and became an ongoing pandemic. The lack of vaccines and drugs to treat infected patients is a great problem in the fight against this pandemic. Molecular docking is one of the best approaches to search for potential drugs in real time with possibilities to apply at COVID-19. In this experiment, molecular docking studies of fourteen ligands were carried out with three important proteins of SARS-CoV-2, i.e. main protease, ACE2, and spike glycoprotein. From the obtained results, we observed that many of the tested molecules showed better dock score in comparison to remdesivir and dexamethasone, drugs that are claimed to be effective against COVID-19. Combining the dock score and other properties, we believe that auranetin can be further explored for potential use against COVID-19.