title: QSAR modeling on dopamine D2 receptor binding affinity of 6-methoxy benzamides.
abstract: 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.
authors.affiliation: Division of Medicinal and Pharmaceutical Chemistry, Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700032, India.
authors.forename: Soma
authors.initials: S
authors.lastname: Samanta
authors.forename: Bikash
authors.initials: B
authors.lastname: Debnath
authors.forename: Shovanlal
authors.initials: S
authors.lastname: Gayen
authors.forename: Balaram
authors.initials: B
authors.lastname: Ghosh
authors.forename: Anindya
authors.initials: A
authors.lastname: Basu
authors.forename: Kolluru
authors.initials: K
authors.lastname: Srikanth
authors.forename: Tarun
authors.initials: T
authors.lastname: Jha
mesh_terms: 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
chemical_list: D001549:Benzamides; D065127:Dopamine D2 Receptor Antagonists