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. 2021 Sep 20;2021:6421122. doi: 10.1155/2021/6421122

Table 4.

Molecular interactions of core targets and naringin.

Compound Target Affinity (kcal/mol) Number of hydrogen bonds Hydrogen bonds interacting residues
Naringin ESR1 −7.1 3 Thr-347(2), Leu-525
Naringin CASP3 −5.4 9 Arg-179, Gln-283, Tyr-338(2), Arg-341(4), Ser-343
Naringin ACE −9.4 8 Glu-162, Gln-281, Ala-354(2), His-383, Lys-449, Lys-454, His-513
Naringin TNF −6.5 3 Gly-121, Gly-148, Gln-149
Naringin PPARG −9.1 6 Ala-278, Ile-281, Gln-286, Ser-289(2), Glu-343
Naringin SERPINE1 −7.2 5 Tyr-37, Arg-76, Tyr-79, Asp-95, Arg-118
Naringin CYP19A1 −9.0 7 Arg-115(2), Thr-310, Ser-314, Leu-372, Phe-430, Gly-439
Naringin MMP1 −9.5 5 Asn-180, Leu-181, Ala-182(2), Glu-219