Design, synthesis and X-ray structure of protein-ligand complexes: important insight into selectivity of memapsin 2 (beta-secretase) inhibitors.
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Potent memapsin 2 (β-secretase) inhibitors: Design, synthesis, protein-ligand X-ray structure, and in vivo evaluationStructure-Based Design of Highly Selective β-Secretase Inhibitors: Synthesis, Biological Evaluation, and Protein–Ligand X-ray Crystal StructureFlexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulationsApplication of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDockConformational Dynamics and Binding Free Energies of Inhibitors of BACE-1: From the Perspective of Protonation EquilibriaReaction-driven de novo design, synthesis and testing of potential type II kinase inhibitors.Harnessing nature's insight: design of aspartyl protease inhibitors from treatment of drug-resistant HIV to Alzheimer's disease.BACE1 (β-secretase) inhibitors for the treatment of Alzheimer's diseaseCapturing the essence of organic synthesis: from bioactive natural products to designed molecules in today's medicine.Structure-based design, synthesis and biological evaluation of novel β-secretase inhibitors containing a pyrazole or thiazole moiety as the P3 ligand.Organic carbamates in drug design and medicinal chemistryProtein flexibility in virtual screening: the BACE-1 case studyThe role of tyrosine 71 in modulating the flap conformations of BACE1.Novel therapeutic strategies for the treatment of protein-misfolding diseases.beta-Secretase as a therapeutic target for Alzheimer's disease.Novel Natural Product-like Caged Xanthones Bearing a Carbamate Moiety Exhibit Antitumor Potency and Anti-Angiogenesis Activity In vivo.Is BACE1 a suitable therapeutic target for the treatment of Alzheimer's disease? Current strategies and future directions.The structural evolution of β-secretase inhibitors: a focus on the development of small-molecule inhibitors.Molecular docking based virtual screening of natural compounds as potential BACE1 inhibitors: 3D QSAR pharmacophore mapping and molecular dynamics analysis.Structural and functional insights into the anti-BACE1 Fab fragment that recognizes the BACE1 exosite.Effect of sampling on BACE-1 ligands binding free energy predictions via MM-PBSA calculations.Design, synthesis, and X-ray structural studies of BACE-1 inhibitors containing substituted 2-oxopiperazines as P1'-P2' ligands.Design, synthesis, X-ray studies, and biological evaluation of novel BACE1 inhibitors with bicyclic isoxazoline carboxamides as the P3 ligand
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P2860
Design, synthesis and X-ray structure of protein-ligand complexes: important insight into selectivity of memapsin 2 (beta-secretase) inhibitors.
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article científic
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article scientifique
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articolo scientifico
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artigo científico
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bilimsel makale
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scientific article published on April 2006
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vedecký článok
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vetenskaplig artikel
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videnskabelig artikel
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vědecký článek
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name
Design, synthesis and X-ray st ...... 2 (beta-secretase) inhibitors.
@en
Design, synthesis and X-ray st ...... 2 (beta-secretase) inhibitors.
@nl
type
label
Design, synthesis and X-ray st ...... 2 (beta-secretase) inhibitors.
@en
Design, synthesis and X-ray st ...... 2 (beta-secretase) inhibitors.
@nl
prefLabel
Design, synthesis and X-ray st ...... 2 (beta-secretase) inhibitors.
@en
Design, synthesis and X-ray st ...... 2 (beta-secretase) inhibitors.
@nl
P2093
P2860
P356
P1476
Design, synthesis and X-ray st ...... 2 (beta-secretase) inhibitors.
@en
P2093
Arun K Ghosh
Chun-Feng Liu
Geoffrey Bilcer
Gerald Koelsch
Jordan Tang
Khaja Azhar Hussain
Nagaswamy Kumaragurubaran
Robert Turner
P2860
P304
P356
10.1021/JA058636J
P407
P577
2006-04-01T00:00:00Z