Insights into interactomics-driven drug repurposing to combat COVID-19
Amrita Mukherjee, Ayushi Verma, Ananya Burli, Krishi Mantri, Surbhi Bihani · 2022
The computational pharmacologists have recently come up with new and improved in silico drug repurposing methodologies. This was possible due to the advances in omics-based technologies along with computational approaches for addressing complex data. In a short time, proteomic studies have immensely contributed to our understanding of the underlying molecular mechanisms of COVID-19 infection, progression, and severity that further facilitated the drug repurposing pipeline. The utility of proteomics-based approaches for drug development ranges from identifying drug targets and elucidation of the mechanism of drug action to assessing drug toxicity and efficacy. Recently, several proteomics-based studies have identified potential protein markers for COVID-19 prognosis. This chapter describes in detail the in silico molecular docking with literature identifying differentially expressed proteins in COVID-19 and screening it against the customized library of 58 small molecules. It also focuses on how proteomics-based investigations can pave the path for drug repurposing and also describes the in vitro validation studies to develop better and stronger therapeutic alternatives for COVID-19.