title: Synthesis and exploration of QSAR model of 2-methyl-3-[2-(2-methylprop-1-en-1-yl)-1H-benzimidazol-1-yl]pyrimido[1,2-a]benzimidazol-4(3H)-one as potential antibacterial agents.
abstract: Present communication deals with the synthesis of novel 2-methyl-3-[2-(2-methylprop-1-en-1-yl)-1H-benzimidazol-1-yl]pyrimido[1,2-a]benzimidazol-4(3H)-one derivatives under phase transfer catalysis (PTC) conditions using benzyl triethyl ammonium chloride (BTEAC) as PTC. It also elicits the studies on in vitro antimicrobial evaluation of synthesized compounds against a representative genera of gram-negative and gram-positive bacteria i.e., Bacillus subtilis, Staphylococcus aureus, Pseudomonas diminuta and Escherichia coli. All the compounds have been found to manifest profound antimicrobial activity. Moreover, extensive quantitative structure-activity relationship (QSAR) studies have been performed to deduce a correlation between molecular descriptors under consideration and the elicited biological activity. A tri-parametric QSAR model has been generated upon rigorous statistical treatment.
authors.affiliation: School of Chemical Sciences, Devi Ahilya University, Takshashila Campus, Khandwa Road, Indore, India. drpratibhasharma@yahoo.com
authors.forename: Pratibha
authors.initials: P
authors.lastname: Sharma
authors.forename: Ashok
authors.initials: A
authors.lastname: Kumar
authors.forename: Manisha
authors.initials: M
authors.lastname: Sharma
authors.forename: Jitendra
authors.initials: J
authors.lastname: Singh
authors.forename: Prabal
authors.initials: P
authors.lastname: Bandyopadhyay
authors.forename: Manisha
authors.initials: M
authors.lastname: Sathe
authors.forename: M P
authors.initials: MP
authors.lastname: Kaushik
mesh_terms: D000900:Anti-Bacterial Agents / Q000138:chemical synthesis* / Q000494:pharmacology*; D001419:Bacteria / Q000187:drug effects*; D001562:Benzimidazoles / Q000138:chemical synthesis* / Q000494:pharmacology*; D008826:Microbial Sensitivity Tests; D008956:Models, Chemical; D015394:Molecular Structure; D011744:Pyrimidinones / Q000138:chemical synthesis* / Q000494:pharmacology*; D021281:Quantitative Structure-Activity Relationship
chemical_list: D000900:Anti-Bacterial Agents; D001562:Benzimidazoles; D011744:Pyrimidinones