Journal Title
Title of Journal: Med Chem Res
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Abbravation: Medicinal Chemistry Research
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Publisher
Springer-Verlag
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Authors: S K Bansal B N Sinha R L Khosa A J Olson
Publish Date: 2010/07/25
Volume: 20, Issue: 9, Pages: 1482-1489
Abstract
In the present study Lamarckian genetic algorithm LGA based docking AutoDock 40 knearest neighbor molecular field analysis kNNMFA based 3DQSAR fragment and knowledge based approach were used to generate and screen a virtual library Three analogues of βphenylethylidene hydrazine PEH were designed as novel GABAAT inhibitors The docking interactions of N1E 2phenylethylidenepyridin2amine S 4 2E1phenyl22phenylethylidenehydrazine S 8 and 1E1ethylidene2phenylhydrazine S 21 with Lys 329 appears to be in close proximity and explains the high GABAAT selectivity observed
Keywords:
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