QSAR studies--potent benzodiazepine gamma-secretase inhibitors.
A series of benzodiazepine compounds, which act as gamma-secretrase inhibitors were subjected to QSAR studies. A correlation between the physicochemical properties QlogP, SMR and the inhibitory activity was obtained and a model equation was generated to predict the best possible pharmacophore for treating Alzheimer's disease. The inhibitory activity of the compound depends on the lipophilicity positively and is sensitive to small changes in its SMR. The compound with a high lipophilicity (around 9.31) and low SMR gives a potent activity.
Ravi Keerti
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A
Molecular Modeling Research Group, Department of Chemistry, Nizam College, Basheerbagh, Hyderabad 500001, Andhra Pradesh, India. ravi_keerti@yahoo.com
Ashok Kumar
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B
Parthasarathy
T
T
Uma
V
V
D053829:Amyloid Precursor Protein Secretases; D001569:Benzodiazepines / Q000737:chemistry* / Q000494:pharmacology*; D010450:Endopeptidases / Q000187:drug effects*; D004791:Enzyme Inhibitors / Q000737:chemistry* / Q000494:pharmacology*; D008958:Models, Molecular; D021281:Quantitative Structure-Activity Relationship
D004791:Enzyme Inhibitors; D001569:Benzodiazepines; D053829:Amyloid Precursor Protein Secretases; D010450:Endopeptidases