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Smokers being witnessed with the mild adverse clinical symptoms ofSARS-CoV-2, the in-silico study is intended to explore the effect of nicotinebinding to the soluble angiotensin converting enzyme II (ACE2) receptor with orwithout SARS-CoV-2 binding. Nicotine established a stable interaction with theconserved amino acid residues: Asp382, Gly405, His378 and Tyr385 through His401of the soluble ACE2 that seals its interaction with the INS1. Also, nicotinebinding has significantly reduced the affinity score of ACE2 with INS1 to -12.6kcal/mol (versus -15.7 kcal/mol without nicotine) and the interface area to1933.6 square Angstrom (versus 2057.3 square Angstrom without nicotine).Nicotine exhibited a higher binding affinity score with ACE2-SARS-CoV-2 complexwith -6.33 kcal/mol (Vs -5.24 kcal/mol without SARS-CoV-2) and a loweredinhibitory contant value of 22.95 micromolar (Vs 151.69 micromolar withoutSARS-CoV). Eventhough ACE2 is not a potential receptor for nicotine binding inthe healthy people, in COVID19 patients, it may exhibit better binding affinitywith the ACE2 receptor. In overall, nicotines strong preference forACE2-SARS-CoV-2 complex might drastically reduce the SARS-CoV-2 virulence byintervening the ACE2 conserved residues interaction with the spike (S1) proteinof SARS-CoV-2.

A computational insight of the improved nicotine binding with ACE2-SARS-CoV-2 complex with its clinical impact