Conformational restriction approach to β-secretase (BACE1) inhibitors III: Effective investigation of the binding mode by combinational use of X-ray analysis, isothermal titration calorimetry and theoretical calculations

Bioorganic and Medicinal Chemistry

Volumn 21, Issue 21, 2013, Pages 6506-6522

  Yonezawa, Shuji ^a,b   Fujiwara, Kenichiro ^a   Yamamoto, Takahiko ^a   Hattori, Kazunari ^a   Yamakawa, Hidekuni ^a   Muto, Chie ^a   Hosono, Motoko ^a   Tanaka, Yoshikazu ^a   Nakano, Toru ^a   Takemoto, Hiroshi ^a   Arisawa, Mitsuhiro ^b   Shuto, Satoshi ^b  

^a SHIONOGI AND CO LTD   (Japan)

^b HOKKAIDO UNIVERSITY   (Japan)

Author keywords

Secretase (BACE1); Alzheimer's disease; Conformational restriction; Cyclopropane; Isothermal titration calorimetry

Indexed keywords

BETA SECRETASE 1; BETA SECRETASE INHIBITOR; CARBON; CYCLOPROPANE; ETHYLENE; PYRIMIDINONE DERIVATIVE;

ARTICLE; CARBON NUCLEAR MAGNETIC RESONANCE; DRUG BINDING; DRUG CONFORMATION; DRUG STRUCTURE; DRUG SYNTHESIS; ENTHALPY; ENTROPY; ENZYME BINDING; ENZYME INHIBITION; GEL CHROMATOGRAPHY; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; ISOTHERMAL TITRATION CALORIMETRY; NUCLEAR OVERHAUSER EFFECT; PROTON NUCLEAR MAGNETIC RESONANCE; STEREOISOMERISM; STRUCTURE ACTIVITY RELATION; THERMODYNAMICS; X RAY ANALYSIS; X RAY CRYSTALLOGRAPHY;

ALZHEIMER'S DISEASE; CONFORMATIONAL RESTRICTION; CYCLOPROPANE; ISOTHERMAL TITRATION CALORIMETRY; Β-SECRETASE (BACE1);

AMIDES; AMYLOID PRECURSOR PROTEIN SECRETASES; ASPARTIC ACID ENDOPEPTIDASES; BINDING SITES; CALORIMETRY; CRYSTALLOGRAPHY, X-RAY; HUMANS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PROTEASE INHIBITORS; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; STEREOISOMERISM; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS;

EID: 84885190641     PISSN: 09680896     EISSN: 14643391     Source Type: Journal    
DOI: 10.1016/j.bmc.2013.08.036     Document Type: Article

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