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
| Autor: | Manisha Sathe, Ashok Kumar, Prabal Bandyopadhyay, Jitendra Singh, Pratibha Sharma, M. P. Kaushik, Manisha Sharma |
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| Rok vydání: | 2011 |
| Předmět: |
Pharmacology
Quantitative structure–activity relationship Benzimidazole Bacteria Molecular Structure biology Stereochemistry Quantitative Structure-Activity Relationship Biological activity Microbial Sensitivity Tests Pyrimidinones General Medicine Bacillus subtilis Antimicrobial biology.organism_classification Anti-Bacterial Agents chemistry.chemical_compound Models Chemical chemistry Molecular descriptor Drug Discovery Benzimidazoles Ammonium chloride Antibacterial activity |
| Zdroj: | Journal of Enzyme Inhibition and Medicinal Chemistry. 27:294-301 |
| ISSN: | 1475-6374 1475-6366 |
| DOI: | 10.3109/14756366.2011.587814 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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