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Table 4 Interaction between ligands and target proteins

From: Molecular mechanism of Epicedium treatment for depression based on network pharmacology and molecular docking technology

Force

electrostatic force

van der Waals force

receptor

IL6

VEGFA

AKT1

EGF

IL6

VEGFA

AKT1

EGF

ligand

luteolin

SER C:227、TRP C:225、ASN C:226、ASP C:221、PRO C:222、HIS C:223、SER E:55、ARG E:57、ALA E:105、CYS E:104、ARG E:103、SER E:103、ILE E:102、SER C:228、TYR E:52、TYR E:59

CYS A: 104, HIS C: 8, Val C: 9, TYR A: 25, CYS A: 26, HIS A: 27, GLN A: 22, NLE C: 10

HIS A: 207, TYR A: 263, SER A: 205, LYS A: 268, ASN A: 269, ASN A: 53, TRP A: 80, ASP A: 292, THR A: 211

GLY A: 12, HIS A: 10, ASP A: 11, CYS A: 14, TYR A: 13, LEU A: 8, PRO A: 7, CYS A: 6, ASP A: 17

TYR E: 59

GLU A: 103, CYS A: 102, PRO A: 28, ARG A: 23

GLN A: 79, LEU A: 264, ARG A: 206, LEU A: 210, MET A; 227, VAL A: 210

GYS A: 20, VAL A: 19, GLY A: 18

quercetin

CYS V: 104, ARG V: 57, SER V: 55, HIS D: 223, PRO D: 222, ASP D: 221, TRP D: 225, SER D: 227, TYR V: 52, PHE D: 229, SER D: 228, GLN A: 75, ILE V: 102, SER V: 101

CYS A: 60, ASN A: 62, ASP A: 63, CYS A: 61, LYS B: 48, PHE B: 47, GLU A: 64, LYS A: 107, CYS A: 68, GLY A: 59

GLN A: 59, ILE A: 186, LEU A: 78, ALS A: 58, CYS A: 60, CYS A: 77, GLN A: 79, ASN A: 53, SER A: 56

CYS B: 14, GLY B: 18, ASP B: 17, GLY B: 12, ASP B: 11, LEU B: 8, PRO B: 7, CYS B: 20, TYR B: 13

ASN D: 226, Tyr V: 59

GLU A: 67, LEU a: 66, PRO B: 49, ILE B: 46

/

SER B: 9, VALB: 19, HIS B: 10

kaempferol

ARG V: 57, TYR V: 59, ARG V: 103, ALA V: 105, ILE V: 102, CYS V: 104, SER V: 101, SER D: 228, TYR V: 52, SER V: 55, SER D: 227, ASP D: 221, PRO D: 222, TRP D: 225, HIS D: 223

TYR B: 25, CYS B: 26, VAL D: 9 ,HIS D:8,GLN B:22,CYS B:104,CYS B:102

VAL A: 185, CYS A: 60, GLN A: 104, ASD A: 108, GLN A: 61, LEU A: 78, ARG A: 76, ILE A: 186

ASP B: 11, CYS B: 120, GLY B: 12, ASP B: 17, GLY B: 18, CYSB: 14, LEU B: 15, TYR B: 13, PRO B: 7, LEU B: 8

ASN D: 226

NLE D:10, GLU B :103,HIS B :27, LYS B :101,PRO B:28

VAL A: 83, LYS A: 111, CYS A: 77

SER B: 9, VAL B: 19, HIS B: 10

Fluoxetine(positive controls)

ASP B:26, ARG B:30, LYS C:252, ASP C :253, GLU C:23, LYS B :27

CYS B:102, HIS B:27, GLN B:22, CYS B:26

ASN A:31, VAL A:106, THR A:105,ASP A:3

ASP A:17, CYS A:20, CYS A:6,TYR A:13, ASP A :11,CYS A:14, GLY A:18,

SER E :30, ARG C :231, THR E:31, ARG B:182, LEU C :254, TYR E:27

HIS D:8, VAL D:9, PRO B:28, TYR B :25, LYS B :101, ARG B :23, GLU B :103, NLE D:10, CYS B:104,

ASP A:32, VAL A;7, GLY A:109, VAL A:4, LEU A :110

LEU A:15, LEU A:8, VAL A:19, GLY A :12, HIS A :16

  1. "/" means no amino acid residues