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

Table 4 E-values (Kcal/mol) of best docked poses of 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

Target Proteins	PDB ID	Bargapten	Psoralene	Psoralenoside	Germanicol acetate	Standard drugs
Adrenergic α₁	3538	−7.7	−8.1	−7.0	10.3	−8.0^A
Muscranic M₁	5CXV	−8.1	−8.2	−7.8	− 10.5	− 9.0^B
Muscranic M₃	4 U14	−7.5	−7.6	− 7.9	− 9.7	− 8.6^C
Dopaminergic D₂	6CM4	− 7.4	− 8.7	−7.3	9.7	−10.6^D
Calmodulin	1CTR	−5.8	− 5.8	− 6.0	− 9.2	− 8.3^E
Calcium channel	1T3S	−6.2	− 6.2	− 6.5	− 9.2	− 7.9^F
Histaminergic H₁	3RZE	− 6.6	−6.5	−7.0	− 9.0	−5.7^G
H⁺/K⁺ ATPase	5YLU	−7.4	−8.7	−8.6	− 9.6	− 8.4^H
Histaminergic H₂	P25021	−8.2	−8.2	− 8.0	− 9.2	−6.1^I
Mu Opioid	5C1M	−7.3	− 7.4	− 7.7	− 9.3	− 9.2^J

Standard inhibitors or activator of pathways are: (A) piranzapine, (B) phenoxy benzamine (C) atropine, (D) domperidone, (E) calmozolium, (F) verapamil, (G) pyrilimine, (H) omeprazole, (I) ranitidine and (J) loperamide

ISSN: 2662-7671