Phytochemicals
|
Docking Score (Kcal/mol)
|
Residues involved in the hydrogen bonding
|
Calanolide A
|
-5.9827
|
ARG138, ASN146
|
Curcumin
|
-11.9951
|
ASP12, ASN13
|
Eugenol
|
-10.6228
|
ARG138, ASN146, TYR83
|
Collinin
|
-3.9488
|
ARG138, ASN146, ASN13
|
Ellagic acid
|
-14.0599
|
LYS105, TRP106, ASP286, ALA288
|
Resveratrol
|
-11.7275
|
TYR56, TYR72, ALA131
|
Galangin
|
-16.4712
|
ASN109, CYS111, TYR112, GLY163, GLN269, GLY271
|
Leachianone G
|
-11.2836
|
THR74, THR75, AN156
|
Kaempferol
|
-15.1889
|
ASN109, CYS111, TYR112, GLY163, GLN269, GLY271
|
Epigallocatechin gallate
|
-13.9114
|
HIS89, LYS92, TRP93, TRP106, ASP108, CYS155, ASN156, LYS157
|
Eepigallocatechin
|
-18.7043
|
TYR72, TYR83, ALA131, ARG138, ASN146
|
Epicatechin gallate
|
-13.6344
|
ASP12, ASN13, TYR83, ARG138, ASN146
|
Epicatechin
|
-16.2121
|
TYR83, ALA131, ARG138, ASN146
|
Catechin
|
-16.2121
|
TYR83, ALA131, ARG138, ASN146
|
Camptothecin
|
-10.1170
|
TRP106, ASP286, ALA288
|
Caffeine
|
-7.9904
|
THR74, THR75
|
Emetine
|
-12.2723
|
THR74, ASP76, LYS92, ASN156
|
Oliverine
|
-14.6060
|
LYS105, ASP108, GLU167
|
Schumannificine
|
-17.5028
|
LYS92, ASP108, LYS157, GLU161
|
Afromosin
|
-10.6251
|
TYR83, ARG138, ASN146
|
Formononetin
|
-11.5464
|
TYR72, ARG138
|
Ternatin
|
-8.2402
|
LYS105, ASP108, TYR264
|
Wogonin
|
-17.5758
|
ASP12, TYR83, ARG138, ASN146
|
Podophyllotoxin
|
-8.0189
|
THR74, THR75, ASN156
|
Cochinolide
|
-14.2751
|
ASN13, TYR83, ARG138, ASN146
|
Dolabellane
|
-7.4013
|
THR74, THR75, ASP76
|
Sageone
|
-11.6264
|
ASN13, TYR56, ARG138, ASN146
|
Silymarin
|
-13.3862
|
ASN13, TYR72, ALA131, ALA135, ARG138
|
Cyanidol
|
-12.8967
|
HIS89, TRP106, LYS157, LEU162
|
Salaspermic acid
|
NOT DOCKED
|
Platanic acid
|
-7.3902
|
THR74, THR75, ASP76
|
Baicalin
|
-34.3309
|
ASN13, TYR71, TYR83, ASP134, ARG138
|
Dammarenolic acid
|
-0.1305
|
ASN13, ARG138
|
Excoecarianin
|
NOT DOCKED
|
Loliolide
|
-10.4500
|
ASN13, ARG138, ASN146
|
Honokiol
|
-7.9547
|
TYR56, ALA131, ASN146
|
Oleanane
|
NOT DOCKED
|
Quercetin
|
-24.9869
|
ASP108, ASN109, CYS111, TYR112, GLY163, GLN269, GLY271
|
Sennoside A
|
-8.1751
|
ASN109, VAL159, LEU162, GLN269
|
Silvestrol
|
-1.8664
|
ASN13, TYR71, TYR72, ARG138
|
SJP-L-5
|
-13.2672
|
ASN13, ARG138, ASN146
|
Xanthohumol
|
-9.1494
|
LYS92, LYS105, TRP106, LYS157, GLU161
|
Spiroketalenol
|
-12.9512
|
THR74, THR75, ASP76
|
Licochalcone
|
-10.8747
|
ALA131, ASN146
|
Chalcone
|
-14.1573
|
ARG138
|
Decanoylphorbol-13 acetate
|
6.3441
|
LYS92, LYS105, TRP106, LYS157, GLU161
|
Jubanine A
|
-1.8017
|
LYS157, GLU167
|
Jubanine B
|
NOT DOCKED
|
3-Hydroxy Caruilignan C
|
-8.3390
|
ASN13, TYR56, ARG138
|
Limonin
|
NOT DOCKED
|
Oxyresveratrol
|
-14.8726
|
ASN13, TYR56, TYR72, ALA131
|
Saikosaponin B2
|
NOT DOCKED
|
Tangeretin
|
-6.8313
|
ASN13, ARG138, ASN146
|
Nobiletin
|
-6.0527
|
ASN13, ARG138, ASN146
|
Jatrophane ester
|
NOT DOCKED
|
Glycyrrhizic acid
|
NOT DOCKED
|
Quercetin 3-rhamnoside
|
-20.3139
|
ASN13, TYR56, TYR72,TYR83, ARG138, ASN146
|
LPRP-Et-97543
|
-13.2511
|
ASP108, GLU167, GLY271
|
Chalepin
|
-7.9836
|
ASN13, TYR56
|
Manassantin B
|
-8.8858
|
THR74, THR75, TRP93, ASN156, LYS157, GLU161
|
Dicaffeoylquinic acid
|
-12.6497
|
ASN13, TYR56, TYR72, ASP134, ARG138, ASN146
|
Scopadulcic acid B
|
NOT DOCKED
|
Naringin
|
-9.1107
|
ASP12, ASN13, TYR71, ASP134
|
Myricetin
|
-14.3847
|
ASP108, ASN109, CYS111, TYR112, GLY163, GLN269, GLY271
|
Inophyllum_B
|
-11.4238
|
ARG138, ASN146
|
Inophyllum_P
|
-11.4238
|
ARG138, ASN146
|
Pericalline
|
-12.1713
|
TRP106, GLU167
|
Chrysophanic acid
|
-22.4865
|
ASP12, ASN13, TYR56, ARG138
|
Nordihydroguaiaretic acid
|
-9.8957
|
TRP106, GLY163, TYR268, ASP286, ALA288
|
Retrojusticidin B
|
-12.5426
|
LYS105, TRP106, ALA288
|
Emodin
|
-23.1325
|
ASN13, TYR56, ALA131
|
Gingerol
|
-5.3377
|
TYR71, TYR83, ASP134, ARG138, ASN146
|
Anthraquinone
|
-11.6131
|
ASN13, ARG138
|
Methyl rosmarinate
|
-13.9423
|
LYS105, ASP108, ASP286, ALA288
|
Licoleafol
|
-26.5293
|
LYS92, LYS105, TRP106, LYS157, LEU162, GLU167
|
Amaranthin
|
-20.2696
|
ASP12, ASN13, TYR56, ASP134, ARG138, GLU143, ASN146
|
Calceolarioside B
|
-15.0832
|
ASN13, TYR56, TYR72, ARG138
|
Papaverine
|
-8.1881
|
LYS45, THR74, THR75, ASP76
|
Biopterin
|
-26.9995
|
ASN109, GLY160, GLN269
|
Buchapine
|
-7.3976
|
THR74, THR75
|
Caribine
|
-14.7955
|
LYS105, LYS157, GLU167
|
Lycorine
|
-15.1457
|
LYS105, ASP108, GLU161, GLU167
|
Fisetin
|
-16.3059
|
TYR83, ALA131, ARG138
|
Morin
|
-17.0390
|
ASN109, GLY160, LEU162, GLN269
|
Luteolin
|
-25.9438
|
ASP108, ASN109, CYS111, TYR112, LY163, GLN269, GLY271
|
Rutin
|
-27.0507
|
ASP12, ASN13, TYR83, ASP134, ARG138, ASN146
|
Taxifolin
|
-15.0153
|
ASN13, TYR72, ASP134, ARG138
|
Oleanolic acid
|
NOT DOCKED
|
Betulinic acid
|
NOT DOCKED
|
5,7,4' trihydroxy-8- methoxyflavone
|
-15.7340
|
TYR71, TYR83, ARG138, ASN146
|
Swerilactone A
|
NOT DOCKED
|
Swerilactone B
|
NOT DOCKED
|