Drug repurposing against sars-cov-2: Targeting nsp16-nsp10 interaction

Drug repurposing studies have played a crucial role in fighting the Covid-19 pandemic. Discovering a new drug molecule for disease takes a very long time. However, repurposing a drug molecule developed for another disease can accelerate new treatments for a disease. Thus, several drug repurposing studies were carried out targeting essential proteins for SARS-CoV-2. Nsp16-Nsp10 interaction was targeted in this work since this interaction is needed for SARS-CoV-2 to evade the human immune system. Therefore, docking calculations of approved 2126 drug molecules obtained from the Drugbank database were performed using the AutoDock Vina program. These docking calculations, drugs Ledipasvir Elbasvir, Venetoclax, Digitoxin, Irinotecan, Dexamethasone, Acetyldigitoxin, Dactinomycin, Lumacaftor, and Simeprevir, have the highest docking scores. Significant interactions for these drug molecules were presented. © 2021, Turkish Chemical Society. All rights reserved.