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. 2023 Mar 30;28(7):3104. doi: 10.3390/molecules28073104

Table 4.

Binding interactions and binding energy of synthesized compounds.

Sr. No Compounds Hydrogen Bonding Arene–pi Interactions Binding Energy (S)
01 K-1 2.74, 2.86
1.13, 2.64
2.59
Tyr18, Ser39, Tyr24,
Arg37,
Asn136
-- −0.6467
02 S-2 2.48, 1.8,
2.52
Lys36, Ser39 Yes −4.0720
03 K-2 2.47, 2.02 Lys33,
Trp141
-- −3.0564
04 H-4 2.32, 1.15 Gyl151,
Ser150
yes −2.5427