COMPUTER AIDED DRUG DESIGNiNG: MOLECULAR DOCKING OF ACETYLCHOLINESTERASE INHIBITORS ON SELECTED DRUG TARGETS OF AD TO REVEAL NEW INSIGHTS IN ITS TREATMENT
Pradhan, Sukanta Kumar
2012
M.Sc
"Alzheimer's disease is the most common fonn of dementia among elderly people characterised by progressive and degenerative disorrler of brain. An imp0l1ant characteristic of AD is the deposition of amyloid fibrils and neurofibrillary tangles in the brain of affected individuals mainly composed of f3-amyloid protein and phosphorylated tauproteins respectively. There is also a loss of the presynaptic markers of the cholinergic system, such as acetylcholine. The important genes now targeted for treatment of early onset of AD arc pAmyloid Protein Precursor (APP), Apolipoprotein E (APOE) and Presenilin I (PS I). In our in silica study facilitated by molecular docking studies of four acetylcholinesterase inhibitors Tacrine, Donepezil, Rivastigmine and Galantamine on these three proteins revealed some important H-bond interaction with residues located in the active site pockets. This residue infonnation can be used for further high throughput screening of large scale ligands, QSAR (2d and 3D), pharmacophore modeling and structure based drug designing."
en
31
Orissa Univesrity of Agriculture and Technology; Bhubaneswar
Bioinformatics
COMPUTER AIDED DRUG DESIGNiNG: MOLECULAR DOCKING
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TH-3870.pdf
COMPUTER AIDED DRUG DESIGNiNG: MOLECULAR DOCKING OF ACETYLCHOLINESTERASE INHIBITORS ON SELECTED DRUG TARGETS OF AD TO REVEAL NEW INSIGHTS IN ITS TREATMENT