A Synergistic Broad-Spectrum Viral Entry Blocker: In-Silico Approach

ABSTRACT

Increasing victims of viral attacks is a serious concern of the current time as well as soon. The story of virulence was started with the origin of the Spanish flu pandemic of 1918, later severe other viral infections like SARS, MARS, and many others took the life of many people. Currently, the situation is locked in the world because of the unprecedented arrival of the COVID-19 from the Wuhan, city of China. The current need turned to make suitable candidates with the existing safety data, to get the molecule in a limited period. Because of that, the quinolone 3-carboxy derivatives were docked with many targets enzyme, but the interaction with gp-41 was found interactive, which is represented with interactive binding energy scores. In this regard, the validated target of the virus likes HIV. COVID-19 and other viruses were utilized to see the beneficial interactions. The present research is based on the Quinoline-3carboxy derivatives and their interaction with gp41. The gp41 has been found with the highest similarity with the S2 protein of the Coronavirus;targeting this protein will inhibit the interaction of cells and viruses. The in silico results were found encouraging with the suitable interactions with the amino acid residues. The results give us the hope to develop a lead for the inhibition of viral infection, including HIV, flu, and Coronavirus. The result is summarized with all the in silico docking and residual interaction with the reasonable concept of lead to go further in the drug discovery process. © 2022 by the authors.