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

Abstract

Background: 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.

Objective: 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).

Methods: 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.

Results: 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.

Conclusion: 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.

Keywords: 3CL protease; COVID-19; Drug repurposing; apremilast; lenalidomide; molecular docking studies; nucleocapsids; pomalidomide; spike protein; thalidomide; virus proteins.