Quinoline and Quinazoline Alkaloids against COVID-19: An In Silico Multitarget Approach

Table 5

Amino acid residues involved in the binding of promising alkaloids on the three targets.

Target name, PDB ID	Amino acids involved in binding interactions
SARS-CoV-2 main protease, 6LU7	Ser1, Thr24, Thr26, Met49, Phe140, Asn142, Gly143, Ser144, Cys145, His163, His164, Glu166, Pro168, His172, Gln189
SARS-CoV-2 spike receptor-binding domain, 6LZG	Glu35, Gln493, Glu484, Asp38, Leu452, Leu492, Ser494, Tyr453, Tyr495, Tyr449, Phe490
Human angiotensin-converting enzyme-related carboxypeptidase (ACE2), 1R42	Asn394, Asp382, Tyr385, Arg393, Asp350, Leu351, Gly352, Trp349, His401, His378, Ala348