E-pharmacophore-based virtual screening to identify GSK-3ß inhibitors.

Natarajan, Pradeep; Priyadarshini, Vani; Pradhan, Dibyabhaba; Manne, Munikumar; Swargam, Sandeep; Kanipakam, Hema; Bhuma, Vengamma; Amineni, Umamaheswari

Natarajan, Pradeep; Priyadarshini, Vani; Pradhan, Dibyabhaba; Manne, Munikumar; Swargam, Sandeep; Kanipakam, Hema; Bhuma, Vengamma; Amineni, Umamaheswari.

Affiliation

Natarajan P; a Bioinformatics Centre, Department of Bioinformatics, SVIMS University , Tirupati , India and.
Priyadarshini V; a Bioinformatics Centre, Department of Bioinformatics, SVIMS University , Tirupati , India and.
Pradhan D; a Bioinformatics Centre, Department of Bioinformatics, SVIMS University , Tirupati , India and.
Manne M; a Bioinformatics Centre, Department of Bioinformatics, SVIMS University , Tirupati , India and.
Swargam S; a Bioinformatics Centre, Department of Bioinformatics, SVIMS University , Tirupati , India and.
Kanipakam H; a Bioinformatics Centre, Department of Bioinformatics, SVIMS University , Tirupati , India and.
Bhuma V; b Department of Neurology , SVIMS University , Tirupati , India.
Amineni U; a Bioinformatics Centre, Department of Bioinformatics, SVIMS University , Tirupati , India and.

J Recept Signal Transduct Res ; 36(5): 445-58, 2016 Oct.

Article in En | MEDLINE | ID: mdl-27305963

Subject(s)

Alzheimer Disease/drug therapy; Glycogen Synthase Kinase 3 beta/chemistry; Protein Conformation; Small Molecule Libraries/chemistry; Alzheimer Disease/pathology; Apoptosis/drug effects; Crystallography, X-Ray; Drug Design; Glycogen Synthase Kinase 3 beta/antagonists & inhibitors; Hippocampus/drug effects; Hippocampus/pathology; Humans; Ligands; Memory/drug effects; Molecular Docking Simulation; Neurofibrillary Tangles/chemistry; Neurofibrillary Tangles/drug effects; Neurofibrillary Tangles/pathology; Neurons/drug effects; Neurons/pathology; Protein Binding; Small Molecule Libraries/therapeutic use; User-Computer Interface

Key words

Alzheimer's disease; GSK-3ß; MD simulations; e-pharmacophore; molecular docking

Fulltext

Add to My VHL

XML

PubMed Links

Search on Google

Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Protein Conformation / Small Molecule Libraries / Alzheimer Disease / Glycogen Synthase Kinase 3 beta Type of study: Diagnostic_studies / Prognostic_studies / Screening_studies Limits: Humans Language: En Journal: J Recept Signal Transduct Res Journal subject: BIOQUIMICA / FISIOLOGIA Year: 2016 Document type: Article Country of publication: United kingdom

Fulltext

Add to My VHL

XML

PubMed Links

Search on Google