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. 2021 May 25:1–30. doi: 10.1080/07391102.2021.1913228

Table 3.

Interacting amino acids for Drugs with RBD of SARS-COV-2 (6M0J) with G-Score above Hydroxyquinoline and active side residue are marked bold.

Compound (6M0J) Mode of Action Hydrophobic Polar Hydrogen bonding п-п stacking Charged
graphic file with name TBSD_A_1913228_ILG0021_B.gif Farnesyl transferase inhibitor Val93, Leu29, Ala387, Pro389, Phe390 His33, Gln96, Thr92, Gln388   Thr92 Lys26, Asp30, Glu37, Arg393
graphic file with name TBSD_A_1913228_ILG0022_B.gif Anti-HIV Protease inhibitor Chain A: Phe390, Pro389, Ala387, Ala386, Val93, Leu29
Chain E: Tyr505, Ile418, Gly416 		Chain A: Gln388, Asn33, Gln96, Thr92, Gln E: 409 Chain A: Gln96, Chain E: Lys417, Gln409, Gln406, Arg403 Chain E Arg403, Chain A: Glu37, Arg393, Asp30, Lys26
Chain E: Glu406, Asp405, Arg403, Arg408, Lys417
graphic file with name TBSD_A_1913228_ILG0023_B.gif Tyrosine Kinase inhibitor; Epidermal Growth Factor Receptor (EGFR) inhibitor Chain A: Ala387, Ala386, Leu29, Val93, Pro389
Chain E: Tyr495, Gln496, Tyr453 		Chain A: His33, Gln388, Gln96 Chain E: Gln 493, Ser494   Chain E: Tyr 453, Arg403, Chain A: Glu37, Asp38, Asp30, Lys353, Lys26, Arg393
Chain E: Arg403,
graphic file with name TBSD_A_1913228_ILG0024_B.gif Bruton Tyrosine Kinase Inhibitor Chain A: Pro389, Ala 387, Ala386, Met383, Gly354, Phe356
Chain E: Tyr505, Gly504, Val503, Gly502 		Chain A: Asn33, Gln388, Thr324 Chain E: Gly504, Arg403, Asp405 Chain E: Tyr505 Chain A: Glu37, Arg393
Chain E: Asp405, Arg408,
Arg403,
graphic file with name TBSD_A_1913228_ILG0025_B.gif Lipoprotein associated phospholipase (A2) Lp-plA2 Inhibitor Chain A: Pro389, Ala387, Phe390, Ala386, Leu29, Val93
Chain E: Tyr505, Leu455, Gly504 		Asn33, Gln388, Thr92, Gln96 Chain A: Asp30 Chain E: Arg403 Chain A: Asp30, Lys26, Arg393
Chain E: Lys417, Arg408, Arg403
graphic file with name TBSD_A_1913228_ILG0026_B.gif Synthetic Antimalarial Drug Chain A: Pro389, Ala387, Ala386, Val93, Leu 29
Chain E: Tyr505 		Chain A: Asn33, Gln388, Thr92, Gln96 Chain A: Asn33, Gln96, Arg393, Glu37
Chain E: Tyr505, Arg403 		Chain A: Arg393, Asn33 Chain A: Lys26, Asp30, Glu37, Arg393, Chain E: Arg403, Asp405
graphic file with name TBSD_A_1913228_ILG0027_B.gif Antimalarial Drug
Anti-arthritis		 Chain E: Tyr453, Tyr495, Gln496, Phe497, Tyr505
Chain A: Phe390, Pro389, Ala387, Ala386		 Chain E: Ser494, Gln493 Chain A: Lys353, Chain E: Asp405 Chain E: Arg403 Chain A: Asp38, Glu37, Arg393, Lys353, Chain E: Arg403, Asp405, Glu406
graphic file with name TBSD_A_1913228_ILG0028_B.gif Antimalarial Drug Chain A: Leu29, Val93, Phe390, Pro389, Ala387, Ala386
Chain E: Gly504, Tyr505 		Chain A: Asn33, Gln96 Chain E: Asp405   Chain A: Lys26, Arg393, Asp30,
Glu37
Chain E: Arg403
graphic file with name TBSD_A_1913228_ILG0029_B.gif Anti-HIV Inhibitor Chain A: Pro389, Ala387, Ala386, Met383, Phe356, Gly354
Chain E: Tyr505, Gly504, Val503, Gly502, Ile418, Gly416		 Chain A: Asn33, Gln388, Thr324
Chain E: Gln409		 Chain E: Asp405, Arg403, Lys417, Gln409 Chain E: Asp405, Chain E: Lys417, Arg408, Arg403
Chain A: Arg393
graphic file with name TBSD_A_1913228_ILG0030_B.gif Potent Irreversible EFGR receptor Chain A: Leu29, Val93, Phe390, Pro389, Ala387, Ala386
Chain E: Tyr505, Tyr495, Gly496, Tyr453		 Chain A: Asn33, Gln96, Gln388 Chain E: Ser494, Gln493 Chain E: Arg403, Tyr453
Chain A: Asn33		   Chain A: Asp30, Lys26, Arg393, Lys353, Glu37, Asp38
Chain E: Arg403
graphic file with name TBSD_A_1913228_ILG0031_B.gif Anti-HIV Inhibitor Chain A: Pro389, Ala387, Phe390
Chain E: Tyr505		 Chain A: Asn33, Gln388, Gln96
Chain E: Gln409		 Chain A: Asp30, Glu37
Chain E: Arg403		 Chain E: Arg408 Chain A: Asp30, Glu37, Arg393
Chain E: Lys417, Arg408, Arg403, Asp405, Glu406
graphic file with name TBSD_A_1913228_ILG0032_B.gif Antiviral
Drug		 Chain A: Pro389, Phe390
Chain E: Tyr505, Tyr495, Gly496, Tyr453, Ile418, Gly416		 Chain A: Asn33, Chain E: Ser494, Gln493, Gln409, Tyr415 Chain A: Asp30
Chain E: Glu406, Gln409, Tyr505, Arg403		   Chain A: Asp30, Glu37, Glu35, Asp38
Arg393, Lys353
Chain E: Lys417, Arg403, Asp405, Glu406