Repurposing Thalidomide, its Analogue and Apremilast for Possible Antiviral in Situation of Severe COVID Cytokine Syndrome.

Abstract

COVID-19, caused by SARS-corona virus-2, is a globally expanded public health risk at a bizarre level. In this current situation, COVID-19 has become a serious emerging pandemic. Drug reusing is a crucial step in identifying the new uses of old established drugs. To achieve a significant and healthy way of treatment in COVID patients within a short duration, drug repurposing is a novel method. The present study concentrated on the molecular docking of thalidomide and its analogues and Apremilast against Coronavirus infectious symptoms, and evaluated virus proteins (Spike Protein, 3cl Protease, Nucleocapsids). The present study explores the possibility of repurposing thalidomide for the treatment of SARS-COV-2 infection by assessing and confirming with docking affinity scores of thalidomide and its analogues and Apremilast, with spike protein, 3cl protease, and nucleocapsids. From the study results, thalidomide, pomalidomide, lenalidomide, and Apremilast exhibited better binding affinity to N Protein (4KXJ), Protease (4WY3) and Spike Protein (5WRG). In comparison to targets, N Protein - 4KXJ is the best for the four ligands. It is finalized that all four ligands (Thalidomide -8.6, Pomalidomide -8.8, Lenalidomide, and -8.2,and Apremilast -8.1) have good docking scores with the target N Protein. The present study confirms that thalidomide and its analogues and apremilast are a better fit for treating high risk patients of COVID-19 viral infection, which are supposed to promote beneficial effects for both respiratory illnesses like COVID-19 symptoms as well as improve the pathological state of condition.