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

Table 12.

Interacting amino acids for compounds having G-Score above Hydroxyquinoline and Galidesivir for RNA dependent RNA Polymerase of SARS-COV-2 (PDB ID 7BTF).

Compound Mode of Action Hydrophobic Polar H-Bond п-п stacking Charged
graphic file with name TBSD_A_1913228_ILG0069_B.gif Potent Irreversible EFGR receptor Tyr455, Ala554, Val557, Tyr619, Pro620, Cys622 Thr556, Ser682, Ser759 Asp760, Asp760, Arg553, Arg553, Asp623, Asp623, Asp623 Lys621, Arg553, Arg553 Lys621, Arg553, Arg624, Arg555, Arg545, Asp452, Asp623, Asp760, Asp761
graphic file with name TBSD_A_1913228_ILG0070_B.gif DNA Topoisomerase inhibitor Tyr455, Tyr619, Pro620, Cys622, Ala550 Ser549 Asp760, Asp760, Asp623, Lys621, Tyr619 Lys621, Arg553, Arg553 Lys798, Arg621, Arg624, Arg555, Arg553, Lys551, Asp623, Asp618, Asp761, Asp760
graphic file with name TBSD_A_1913228_ILG0071_B.gif Antimalarial, Anti-inflammatory Tyr455, Cys622, Pro620, Tyr619, Trp617, Ala762   Asp761, Trp617, Asp760, Lys621, Asp761 Arg553, Lys621 Lys551, Arg553, Arg555, Arg624, Lys621, Lys798, Asp623, Asp618, Asp761, Asp760
graphic file with name TBSD_A_1913228_ILG0072_B.gif Antimalarial Tyr455, Cys622, Pro620, Tyr619, Trp617, Ala762 Ser759 Asp760, Asp760, Asp761 Lys621, Arg553, Arg553, Asp452 Lys551, Arg553, Asp452, Arg624, Asp623, Lys621, Asp618, Asp760, Asp761, Lys798
graphic file with name TBSD_A_1913228_ILG0073_C.gif Antibiotic Tyr455, Ala554, Cys622, Pro620, Tyr619, Trp617, Ala762, Trp800, Phe812, Cys814 Thr556, Ser682, Ser814 Asp452, Asp623, Asp761, Trp617 Arg553, Arg553 Arg553, Arg555, Arg624, Lys621, Lys798, Asp452, Asp623, Asp618, Asp761, Asp760, Glu811
graphic file with name TBSD_A_1913228_ILG0074_B.gif Anti-HIV inhibitor Tyr619, Pro620, Cys622, Tyr455, Asn691, Thr680, Ser682, Thr556 Arg553, Asn691, Arg555 Lys621, Arg553 Asp618, Asp760, Asp623, Lys621, Arg624, Arg553, Arg555,
graphic file with name TBSD_A_1913228_ILG0075_B.gif Antiviral activity against positive and negative sense RNA viruses for example: Ebola, Marburg, Yellow fever, Zika virus Tyr619, Pro620, Cys622, Tyr455 Thr556 Asp623, Asp618, Tyr619   Asp618, Asp760, Asp623, Asp452, Lys798, Lys621, Arg624, Arg553, Lys551
graphic file with name TBSD_A_1913228_ILG0076_B.gif Antimalarial Drug
Anti-arthritis
Cys622, Pro620, Tyr619, Tro617, Trp800, Ala762, Phe812, Cys813 Ser814 Asp760, Asp761, Asp761, Asp761, Asp623 Lys621 Asp623, Lys621, Asp618, Asp760, Asp761, Glu811, Lys798
graphic file with name TBSD_A_1913228_ILG0077_B.gif Toll-like receptor 7 Agonist Tyr619, Pro620, Cys622, Tyr455   Asp623, Arg553, Arg555 Lys621, Arg553 Lys621, Asp623, Asp618, Lys798, Arg624, Asp760, Asp452
graphic file with name TBSD_A_1913228_ILG0078_B.gif β2 adrenoceptors agonist, muscarinic receptor antagonist Cys622, Pro620, Tyr619, Trp617, Tyr455, Ala554 Ser759, Asn691, Thr556, Ser814 Lys621, Asp618, Asp760, Ala554 Lys621, Tyr455, Arg553 Lys621, Arg624, Asp623, Asp618, Lys551, Arg553, Arg555, Asp760, Asp761
graphic file with name TBSD_A_1913228_ILG0079_B.gif Anti-HIV Protease Inhibitor Tyr619, Trp617, Pro620, Cys622, Ala762, Ala688 Ser682, Thr687, Asn691, Thr556, Ser759 Asp760, Asp623, Arg553, Arg555, Thr556   Asp618, Glu811, Lys621, Arg624, Asp623, Lys545, Asp684, Arg555, Arg553, Asp760, Asp761
graphic file with name TBSD_A_1913228_ILG0080_B.gif Tyrosine Kinase inhibitor; Epidermal Growth Factor Receptor (EGFR) inhibitor Chain A: Tyr455, Ala554, Ala448 Chain A: Asn552, Ser451, Asn447, Gln444
Chain C: Gln34
Chain A: Ala554, Asp445 Chain A: Arg553, Ala554 Chain A: Lys621, Arg624, Lys551, Arg553, Asp623, Asp445
graphic file with name TBSD_A_1913228_ILG0081_B.gif Tyrosine Kinase inhibitor; Epidermal Growth Factor Receptor (EGFR) inhibitor Pro620, Cys622, Val166, Tyr455, Ala688 Ser759, Asn691, Thr680, Ser681, Ser682 Asp623, Lys621 Arg553 Lys798, Glu167, Asp760, Asp623, Arg624, Lys621, Arg553, Lys551
graphic file with name TBSD_A_1913228_ILG0082_B.gif Antiviral Drug Tyr619, Val166, Pro620, Cys622, Met626, Tyr455 Ser759, Thr680, Asn691, Asn552 Lys798, Lys621, Cys622 Arg553, Lys621 Asp618, Lys798, Lys621, Arg624, Asp623, Lys551, Arg553, Asp760