Computation of Reverse Degrees of Some Antiviral Drugs Targeting COVID 19 with QSPR Analysis

Abstract

COVID-19 has caused global disruptions infection. In the absence of a cure, the disease is still a cause for concern, so numerous research groups are focusing on identifying and developing new therapies to combat it. SARS-CoV-2, the virus responsible for the current epidemic, does not have specific antiviral drugs. Still, some antiviral drugs that target specific steps in their life cycle may prove effective in their treatment. It is advantageous to develop models based on the physicochemical properties of currently available antivirals. Therefore, this study determined QSPR models using reverse degree-based topological indices after analyzing the molecular structures of certain antiviral drugs. Firstly, we computed several reverse degree-based topological indices for these drugs, followed by a QSPR between the obtained reverse degree-based topological indices and various properties of these drugs. The study indicates that topological indices under investigation are directly associated with the physicochemical properties of the studied antiviral drugs.