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Table 6 Pi-Pi bonds (p-p bonds) formed by Bargapten, Psoralene, Psoralenoside, Germanicol acetate and standard drugs against targets: adrenergic α1 receptor, muscranic M1, muscranic M3, dopaminergic D2, calmodulin, mu-opioid, voltage gated L-Type calcium channel, histaminergic H1, histaminergic H2 and H+/K+ ATPase pump

From: Pharmacological and computational evaluation of fig for therapeutic potential in hyperactive gastrointestinal disorders

ProteinsPDB IDBargaptenPsoralenePsoralenosideGermanicol acetateStandard drugs
π-π bondsAmino Acidsπ-π bondsAmino Acidsπ-π bondsAmino Acidsπ-π bondsAmino Acidsπ-π bondsAmino Acids
Adrenergic α135382TRP 295
PHE 299
1PHE 299
CYS 181
1VAL 16803APHE 299
TRP 295
PHE 298
Muscranic M15CXV2TYR 381
TYR 106
3TYR 404
TRP 378
CYS 407
2ALA 363
LYS 362
01BTYR 404
Muscranic M34 U141TYR 5061TRP 5031TYR 101800C
Dopaminergic D26CM44TRP 386
PHE 386
PHE 390
ASP 114
4PHE 390
TRP 386
PHE 198
PHE 389
2THR 412
TRP 100
1TYR 4084DASP 114
PHE 389
LEU 94
TRP 100
Calmodulin1CTR2MET 124
PHE 92
1LEU 1052GLU 11
MET 72
05EMET 144
MET 145
MET 109
LEU 105
PHE 92
Calcium channel1T3S3LEU 86
GLU 87
2ARG 65
GLU 87
001FARG 413
Histaminergic H13RZE2ARG 97
CYS 180
2ARG 97
CYS 180
002GPHE 1104
GLU 1011
H+/K+ ATPase5YLU1PHE 9091GLY 6111ASP 44301HARG 544
Histaminergic H2P250212PHE 249
PHE 171
3PHE 171
PHE 249
VAL 92
1PHE 17102IPHE 267
VAL 268
Mu Opioid5C1M3VAL 300
MET 151
TRP 293
3TYR 494
CYS 407
TRP 378
2THR 1142
ARG 1145
1PHE 2393JILE 296
HIS 297
TRP 293
  1. Standard inhibitors or activators are: (A) phenoxy benzamine, (B) piranzapine, (C) atropine, (D) domperidone, (E) calmozolium, (F) verapamil, (G) pyrilimine, (H) omeprazole, (I) ranitidine and (J) loperamide. Amino acids are: ALA, alanine; GLN, glutamine; GLY, glycine; HIS, histidine; LYS, lysine; PHE, phenylalanine; SER, Serine; TRP, tryptophan and TYR, tyrosine and VAL, valine