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
Proteins | PDB ID | Bargapten | Psoralene | Psoralenoside | Germanicol acetate | Standard drugs | |||||
|---|---|---|---|---|---|---|---|---|---|---|---|
π-π bonds | Amino Acids | π-π bonds | Amino Acids | π-π bonds | Amino Acids | π-π bonds | Amino Acids | π-π bonds | Amino Acids | ||
Adrenergic α1 | 3538 | 2 | TRP 295 PHE 299 | 1 | PHE 299 CYS 181 | 1 | VAL 168 | 0 | – | 3A | PHE 299 TRP 295 PHE 298 |
Muscranic M1 | 5CXV | 2 | TYR 381 TYR 106 | 3 | TYR 404 TRP 378 CYS 407 | 2 | ALA 363 LYS 362 | 0 | – | 1B | TYR 404 |
Muscranic M3 | 4 U14 | 1 | TYR 506 | 1 | TRP 503 | 1 | TYR 1018 | 0 | – | 0C | – |
Dopaminergic D2 | 6CM4 | 4 | TRP 386 PHE 386 PHE 390 ASP 114 | 4 | PHE 390 TRP 386 PHE 198 PHE 389 | 2 | THR 412 TRP 100 | 1 | TYR 408 | 4D | ASP 114 PHE 389 LEU 94 TRP 100 |
Calmodulin | 1CTR | 2 | MET 124 PHE 92 | 1 | LEU 105 | 2 | GLU 11 MET 72 | 0 | – | 5E | MET 144 MET 145 MET 109 LEU 105 PHE 92 |
Calcium channel | 1T3S | 3 | LEU 86 GLU 87 | 2 | ARG 65 GLU 87 | 0 | – | 0 | – | 1F | ARG 413 |
Histaminergic H1 | 3RZE | 2 | ARG 97 CYS 180 | 2 | ARG 97 CYS 180 | 0 | – | 0 | – | 2G | PHE 1104 GLU 1011 |
H+/K+ ATPase | 5YLU | 1 | PHE 909 | 1 | GLY 611 | 1 | ASP 443 | 0 | – | 1H | ARG 544 |
Histaminergic H2 | P25021 | 2 | PHE 249 PHE 171 | 3 | PHE 171 PHE 249 VAL 92 | 1 | PHE 171 | 0 | – | 2I | PHE 267 VAL 268 |
Mu Opioid | 5C1M | 3 | VAL 300 MET 151 TRP 293 | 3 | TYR 494 CYS 407 TRP 378 | 2 | THR 1142 ARG 1145 | 1 | PHE 239 | 3J | ILE 296 HIS 297 TRP 293 |