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Description
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This study describes ab initio quantum mechanical calculations on peptidic and peptidomimetic compounds as preventive drugs for Alzheimer's disease. De novo designing has been undertaken based on energetic aspects of mechanism involved. Designed compounds have been subjected to in silico testing. Study also suggests a conformationally controlled mechanism for BACE inhibitors. Reduced molecular weight lead compounds of preventive type with drug like features have been proposed.
(Author portrait)
Yadav, ArpitaDr. Arpita Yadav, M.Sc., Ph.D., Assistant ProfessorDepartment of Chemistry, University Institute of Engineering and Technology, C.S.J.M. University, Kanpur 208024, IndiaEmail:arpitayadav@yahoo.co.in Research interests: Computer aided drug designing using quantum mechanical techniques, Peptidomimetic drug delivery systems