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. 2021 Aug 23;26:100714. doi: 10.1016/j.imu.2021.100714

Table 4.

HCQ docking studies with the protein targets using AutoDock Vina: score & interacting residues details.

PROTEIN TARGETS AFFINITY (kcal/mol) HYDROGEN BONDS HYDROPHOBIC INTERACTING RESIDUES
ACE2 −6.2 Glu 208 Gln 102, Tyr 196, Gln 98, Leu 95, Pro 565, Asp 206, Ala 396
α7 nAChR −6.2 Ser 77, Asp 87 Trp 145, Ile 80, Val 85, Tyr 116
α1D-AR −6.4 Asp 80, Cys 150 Lys 289, Phe 288, Asp 80, Trp 76, Ala 77, Phe 292, Ser 283
TOP 3β −6.1 Asp 185, Phe 214 Arg 181, Gly 189, Gln 182, Ala 512, Gln 218, Arg 524, His 517