Effectivity of Remdesivir and some compounds as therapeutic potential drugs for anti-SARS-CoV-2: in silico study

Abstract

Coronavirus Disease 2019 (COVID-19) pandemic by the infection of the new SARS-CoV-2 has been spread quickly worldwide. Since then, an effort has been made to find a therapeutic drug candidate to prevent and cure the infection. An in silico study is one of the most effective ways to do a screening of potential drugs by studying the interaction of the drug compounds with the protein target of the viruses theoretically. In this work, we reported the in silico study of 17 drugs candidates as anti-SARS-CoV-2 based on molecular docking. Three of the protein target used were crystal proteins of coronavirus with PDB ID of 2GX4, 6FV1, and 4LMT. The result showed that redemsivir showed the most promising drug candidate followed by hesperidin and chloroquine based on the CDOCKER energy and interaction formed form the molecular docking.