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 |