Computational-based strategies to deal with liver injuries induced by the repurposed drugs against SARS-CoV-2

SARS-CoV-2 has impacted human health with varying degrees of illness, including liver injuries resulting from the repurposed drugs against it. It means that even after recovering the patients, they may encounter the side effects of the exploited medicines. This review categorizes the liver-related anomalies caused by repurposed drugs against COVID-19 and discusses the potential of computational biology-based drug repurposing approaches to address these anomalies. The present review introduces various data resources and software packages that aid in designing drug repurposing methods for treating liver injuries induced not only by SARS-CoV-2 but also by other emerging infectious viruses. To achieve this, a possible efficient solution may involve three main steps. Firstly, virtual screening approaches are used for identifying candidate drugs from large databases. Secondly, molecular docking methods are applied for assessing ligand-protein interactions. Finally, the molecular dynamic simulation techniques are performed to model dynamic interactions of atoms associated with proteins and ligands. Additionally, this review suggests a candidate list of paired drugs for treating liver injuries. The findings of this review offer insights into drug repurposing strategies and their potential impact on liver injury treatment.