Computational methods in the discovery and design of BACE-1 inhibitors

Current Medicinal Chemistry

Volumn 19, Issue 36, 2012, Pages 6095-6111

  Kacker, P ^a   Bottegoni, G ^a   Cavalli, A ^a,b  

^a ISTITUTO ITALIANO DI TECNOLOGIA   (Italy)

^b UNIVERSITY OF BOLOGNA   (Italy)

Author keywords

Secretase; Site APP cleaving enzyme 1; Alzheimer's disease; BACE 1; Docking; Dyad; Molecular dynamics; Protease; Protonation state; Receptor flexibility; Virtual screening

Indexed keywords

ASPARTIC PROTEINASE INHIBITOR; BACE 1 INHIBITOR; BETA SECRETASE 1; BETA SECRETASE INHIBITOR; ENZYME PRECURSOR; UNCLASSIFIED DRUG;

CRYSTAL STRUCTURE; DRUG SCREENING; HUMAN; HYDROGEN BOND; MOLECULAR DYNAMICS; NONHUMAN; PLASTICITY; PROTEIN ANALYSIS; PROTEIN CONFORMATION; PROTEIN STRUCTURE; PROTON TRANSPORT; REVIEW; STRUCTURE ACTIVITY RELATION; WILD TYPE;

ALZHEIMER DISEASE; AMYLOID PRECURSOR PROTEIN SECRETASES; ASPARTIC ACID ENDOPEPTIDASES; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; HUMANS; MODELS, MOLECULAR; PROTEASE INHIBITORS; PROTEIN BINDING; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84871309604     PISSN: 09298673     EISSN: 1875533X     Source Type: Journal    
DOI: 10.2174/092986712804485746     Document Type: Review

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