Molecular docking studies of 4 - Piperidinopyridine and 4 - Piperidinopyrimidine derivatives as 2,3 - Oxidosqualene Cyclase inhibitors

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dc.categoryJournal Article
dc.contributor.authorAnnapurani, S
dc.date.accessioned2017-03-07T21:57:29Z
dc.date.available2017-03-07T21:57:29Z
dc.date.issued2011
dc.departmentBiochemistryen_US
dc.description.abstractLanosterol synthase belongs to the large family of oxidosqualene cyclases (OSCs), eukaryotic enzymes that catalyse the cyclization of 2,3-oxidosqualene(OS) into different cyclic compounds. A novel series of 4-piperidinopyridines and 4- piperidinopyrimidines showed potent and selective inhibition of 2,3-oxidosqualenc cyclase-lanosterol synthase (OSC). The piperidinopyrimidine OSC inhibitors have a significantly lower pl<.(a) than the corresponding pyridine .This indicates that other novel OSC inhibitors may be found in analogues of this series across a broader pl<.(a) range (6.0-9.0). These series may yield novel hypccholesterolemic agents for the treatment of cardiovascular disease. Docking analysis of GOLD and GLIDE were performed to predict the binding properties of disease related targef protein OSC with 4-Piperidinopyridine and 4- Piperidinopyrimidine derivatives as inhibitors. Virtual Screening has been done for all derivatives (inhibitors) and the ligands were chosen for induced fit docking based on their binding affinity, glide energy and glide score. The results revealed that the compound 25 (I-(4-Pyrimiclinyl)-4-(I-(4-brninopl]unyl -siilfonyl)piperazin-4ylcarbonyl)piperidine) with more interaction and scores may afford novel hypocholcstorolemic agents for the treatment of cardiovascular disease.en_US
dc.identifier.urihttps://ir.avinuty.ac.in/handle/avu/1932
dc.langEnglishen_US
dc.publisher.nameJournal Of Advanced Scientific Researchen_US
dc.publisher.typeInternationalen_US
dc.titleMolecular docking studies of 4 - Piperidinopyridine and 4 - Piperidinopyrimidine derivatives as 2,3 - Oxidosqualene Cyclase inhibitorsen_US
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