QSAR modeling on dopamine D2 receptor binding affinity of 6-methoxy benzamides.
QSAR modeling was performed on 58 (S) N-[(1-ethyl-2-pyrrolidinyl) methyl]-6-methoxy benzamides as dopamine (DA) D2 receptor antagonists to identify the structural requirements for DA D2 receptor binding affinity. The study pointed out that the presence of hydrophobic substituents at R3 position and electron-donating groups at R5 position increased the biological activity. Substitutions at phenyl ring favored the binding affinity of these benzamides. Ethyl group and iodine at R3 position were advantageous to the activity whereas nitro group at phenyl ring hindered the antagonistic activity.
Samanta
Soma
S
Division of Medicinal and Pharmaceutical Chemistry, Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700032, India.
Debnath
Bikash
B
Gayen
Shovanlal
S
Ghosh
Balaram
B
Basu
Anindya
A
Srikanth
Kolluru
K
Jha
Tarun
T
D001549:Benzamides / Q000737:chemistry / Q000494:pharmacology*; D065127:Dopamine D2 Receptor Antagonists; D016014:Linear Models; D008954:Models, Biological; D008956:Models, Chemical; D015394:Molecular Structure; D011485:Protein Binding; D021281:Quantitative Structure-Activity Relationship
D001549:Benzamides; D065127:Dopamine D2 Receptor Antagonists