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P1‐042: An Exploratory Molecular Imaging Study Targeting Aβ with A Novel 8‐OH Quinoline in Alzheimer’s Disease (The PBT2‐204 Imagine Study)
Author(s) -
Villemagne Victor L.,
Rowe Christopher C.,
Barnham Kevin J.,
Cherny Robert,
Woodward Michael,
Pejoska Svetalana,
Salvado Olivier,
Bourgeat Pierrick,
Perez Keyla,
Fowler Christopher,
Rembach Alan,
Maruff Paul,
Tanzi Rudolph,
Ritchie Craig W.,
Masters Colin L.
Publication year - 2016
Publication title -
alzheimer's and dementia
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 6.713
H-Index - 118
eISSN - 1552-5279
pISSN - 1552-5260
DOI - 10.1016/j.jalz.2016.06.789
Subject(s) - placebo , medicine , psychology , cardiology , pathology , alternative medicine
The binding modes of Cyclin Dependent Kinase inhibitors were explored using molecular docking and dynamic simulation. The docking studies revealed that benzofuran staurosporine derivative bind to the CDK5/p25 at crucial active site residues, and have favorable hydrogen bonding, salt bridges and hydrophobic interaction with catalytic site bearing Cys 83. Dynamic simulation studies of CDK5/p25 complexes suggests existence of ligand induced conformational changes in PSAALRE which paves opening of entrance gate of active site for substrate recognition. So staurosporine derivative is having therapeutic potential of treating Alzheimer’s.