Computational Modeling of ß-Secretase 1 (BACE-1) Inhibitors Using Ligand Based Approaches.

Subramanian, Govindan; Ramsundar, Bharath; Pande, Vijay; Denny, Rajiah Aldrin

Subramanian, Govindan; Ramsundar, Bharath; Pande, Vijay; Denny, Rajiah Aldrin.

Affiliation

Subramanian G; VMRD Global Discovery, Zoetis , 333 Portage Street, Kalamazoo, Michigan 49007, United States.
Denny RA; Worldwide Medicinal Chemistry, Pfizer Inc. , 610 Main Street, Cambridge, Massachusetts 02139, United States.

J Chem Inf Model ; 56(10): 1936-1949, 2016 10 24.

Article in En | MEDLINE | ID: mdl-27689393

Subject(s)

Amyloid Precursor Protein Secretases/antagonists & inhibitors; Aspartic Acid Endopeptidases/antagonists & inhibitors; Drug Discovery; Amyloid Precursor Protein Secretases/chemistry; Amyloid Precursor Protein Secretases/metabolism; Aspartic Acid Endopeptidases/chemistry; Aspartic Acid Endopeptidases/metabolism; Computer Simulation; Drug Discovery/methods; Humans; Ligands; Machine Learning; Models, Molecular; Neural Networks, Computer; Quantitative Structure-Activity Relationship; Small Molecule Libraries/chemistry; Small Molecule Libraries/pharmacology

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Aspartic Acid Endopeptidases / Amyloid Precursor Protein Secretases / Drug Discovery Type of study: Prognostic_studies / Qualitative_research Limits: Humans Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2016 Document type: Article Affiliation country: United States Country of publication: United States

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