Please use this identifier to cite or link to this item: http://13.232.72.61:8080/jspui/handle/123456789/513
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dc.contributor.authorChandra-
dc.contributor.authorPuttaraju, Kallimeledoddi B.-
dc.contributor.authorMahesh, Sankanahally Srinivasshetty-
dc.contributor.authorShivashankar, Kalegowda-
dc.contributor.authorLokanath, Neratur Krishnappagowda-
dc.contributor.authorMadegowda, Mahendra-
dc.date.accessioned2018-12-06T12:14:30Z-
dc.date.available2018-12-06T12:14:30Z-
dc.date.issued2014-
dc.identifier.citationChandra., Kallimeledoddi B. Puttaraju., Mahesh, Sankanahally Srinivasshetty., Shivashankar, Kalegowda., Lokanath, Neratur Krishnappagowda., & Madegowda, Mahendra. (2014). Molecular docking studies of benzimidazopyrimidine and coumarin substituted benzimidazopyrimidine derivatives: As potential human Aurora A kinase inhibitors. Bioinformation, 10(5), 288-292.en_US
dc.identifier.issne-0973-2063-
dc.identifier.issnp-0973-8894-
dc.identifier.urihttp://13.232.72.61:8080/jspui/handle/123456789/513-
dc.description.abstractProtein kinases are important drug targets in human cancers, inflammation and metabolic diseases. Docking studies was performed for all the benzimidazopyrimidine and coumarin substituted benzimidazopyridimine derivatives with human Aurora A kinase target (3FDN) employing flexible ligand docking approach by using AutoDock 4.2. All the compounds were found to have minimum binding energy ranging from -6.26 to -9.29 kJ/mol. Among the molecules tested for docking study, 10-(6-Bromo-2-oxo- 2H-chromen-4-ylmethyl)-2-isopropyl-10H-benzo[4,5]imidazo[1,2-a]pyrimidin-4-one (2k) showed minimum binding energy (-9.29 kJ/mol) with ligand efficiency of -0.31. All the ligands were docked deeply within the binding pocket region of 3FDN showing hydrogen bonds with Ala 213 and Asn 261. The docking study results showed that these derivatives are excellent inhibitor of human Aurora A kinase target; and also all these docked compounds have good inhibition constant, vdW + Hbond + desolv energy with best RMSD valueen_US
dc.language.isoenen_US
dc.publisherBiomedical Informaticsen_US
dc.subjectPhysicsen_US
dc.subjectChemistryen_US
dc.titleMolecular Docking Studies of Benzimidazopyrimidine and Coumarin Substituted Benzimidazopyrimidine Derivatives: As Potential Human Aurora A kinase Inhibitorsen_US
dc.typeArticleen_US
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