COMPUTATIONAL EVALUATION OF SPIROISOXAZOLINES AS INHIBITOR OF AChe
Journal Title: International Research Journal of Pharmacy (IRJP) - Year 2012, Vol 3, Issue 7
Abstract
Spiroisoxazolines are structurally diverse group of compounds that show wide range of biological activity. The computational evaluation of the spiroisoxazolines derivatives as the acetylcholinesterase inhibitor was performed. By using online servers applying different approaches the acetylcholinesterase was identified as the target for the synthesized derivative. The docking analysis was performed by PyRx software using AutoDock 4. Further the molecular descriptor analysis was performed to identify drug likeness of the derivatives by Lipinski’s rule of five. Derivatives showed comparatively significant binding energy values and followed the Lipinski’s rule. The study provides the base for further in vitro and in vivo study of the spiroisoxazolines derivatives as acetylcholinesterase inhibitor and proposed drug to be used for Alzheimer disease.
Authors and Affiliations
Rajendra Gaikar , Pratik Vikhe , Anil Gadhave , Bhausaheb Karale
Keywords
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