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 |