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Table 5 Hydrogen bonds (H-bonds) formed by bergapten, 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, histamergic H2 and H+/K+ ATPase pump

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

Target ProteinsPDB IDBargaptenPsoralenePsoralenosideGermanicol acetateStandard drugs
H-bondsAmino AcidsH-bondsAmino AcidsH-bondsAmino AcidsH-bondsAmino AcidsH-bondsAmino Acids
Adrenergic α1353804SER 180(2)
THR 181
THR 102
5THR 78
THR 323
ASP 320
GLN 9
GLY 81
1THR 2830A
Muscranic M15CXV2CYS 407
SER 109
1ASN 382002BILE 180
TYR 381
Muscranic M34 U141SER 15102GLU 1011
ASP 1010
1TYR 1480C
Dopaminergic D26CM41TYR 4161SER 1931SER 4091ILE 4032DTYR 413
GLU 95
Calmodulin1CTR003GLU 114
GLU 14
GLU 127
00E
Calcium channel1T3S1ARG 1681ARG 1683SER 177
ASN 123
ASP 126
2GLY 178
SER 177
2FGLN 1156
ILE 381
Histaminergic H13RZE1TRP931TRP 934SER 128
ARG 125
ASN 63
ASN 472
00G
H+/K+ ATPase5YLU2THR 799
TYR 308
1ARG 5445ALA 730
ASP 710
ASP 369
SER 477
ASN 713
01HSER 477
Histaminergic H2P250213SER 185
SER 181
THR 173
3SER 185
SER 181
THR 173
4TYR 275
CYS 169
ASP 170
THR 173
02ITHR 173
Mu Opioid5C1M1HIS 2971ASN 3823TYR 1018
ASN 1020
GLU 1011
01JTYR 128
  1. Standard inhibitors or activators are: (A) piranzapine, (B) phenoxy benzamine, (C) atropine, (D) domperidone, (E) calmozolium, (F) verapamil (G) omeprazole, (I) ranitidine, and (J) loperamide. Amino acids are: ALA, alanine; ARG, arginine; ASN, asparagine; ASP, aspartic acid; CYS, cysteine; GLN, glutamine; GLU, glutamic acid; GLY, glycine; HIS, histidine; ILE, isoleucine; LYS, lysine; MET, methionine; PHE, phenylalanine; PRO, proline; SER, serine; THR, threonine; TRP, tryptophan; TYR, tyrosine and VAL, valine