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Discovery and Optimization of a Novel Spiropyrrolidine Inhibitor of β-Secretase (BACE1) through Fragment-Based Drug Design
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/9780470594087openalex-snapshot
BACE: Lead Target for Orchestrated Therapy of Alzheimer's Disease
inferredcites →https://doi.org/10.1002/9780470594087.ch5openalex-snapshot
Fragment‐Based Approaches for Identification of BACE Inhibitors
inferredcites →https://doi.org/10.1002/anie.200462643openalex-snapshot
An Old Target Revisited: Two New Privileged Skeletons and an Unexpected Binding Mode For HIV‐Protease Inhibitors
inferredcites →https://doi.org/10.1002/cmdc.200500008openalex-snapshot
Unexpected Novel Binding Mode of Pyrrolidine‐Based Aspartyl Protease Inhibitors: Design, Synthesis and Crystal Structure in Complex with HIV Protease
inferredcites →https://doi.org/10.1002/cmdc.200800113openalex-snapshot
Targeting the Open‐Flap Conformation of HIV‐1 Protease with Pyrrolidine‐Based Inhibitors
inferredcites →https://doi.org/10.1002/mrc.1381openalex-snapshot
Competition STD NMR for the detection of high‐affinity ligands and NMR‐based screening
inferredcites →https://doi.org/10.1007/s00249-006-0065-7openalex-snapshot
X-ray, neutron and NMR studies of the catalytic mechanism of aspartic proteinases
inferredcites →https://doi.org/10.1016/0006-291x(67)90299-9openalex-snapshot
On the size of the active site in proteases II. Carboxypeptidase-A
inferredcites →https://doi.org/10.1016/0006-291x(68)90326-4openalex-snapshot
On the active site of proteases. III. Mapping the active site of papain; specific peptide inhibitors of papain
inferredcites →https://doi.org/10.1016/0165-6147(91)90609-vopenalex-snapshot
Amyloid deposition as the central event in the aetiology of Alzheimer's disease
inferredcites →https://doi.org/10.1016/j.bmcl.2006.09.092openalex-snapshot
Design of potent inhibitors of human β-secretase. Part 1
inferredcites →https://doi.org/10.1016/j.bmcl.2007.08.010openalex-snapshot
Thiophene substituted acylguanidines as BACE1 inhibitors
inferredcites →https://doi.org/10.1016/j.bmcl.2007.12.010openalex-snapshot
Acylguanidine inhibitors of β-secretase: Optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets
inferredcites →https://doi.org/10.1016/j.bmcl.2008.01.032openalex-snapshot
Tyramine fragment binding to BACE-1
inferredcites →https://doi.org/10.1016/j.bmcl.2009.09.061openalex-snapshot
Design and synthesis of cell potent BACE-1 inhibitors: Structure–activity relationship of P1′ substituents
inferredcites →https://doi.org/10.1016/j.bmcl.2010.06.112openalex-snapshot
Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: Structure–activity relationship of P2′ substituents
inferredcites →https://doi.org/10.1016/j.bmcl.2011.11.024openalex-snapshot
Discovery of pyrrolidine-based β-secretase inhibitors: Lead advancement through conformational design for maintenance of ligand binding efficiency
inferredcites →https://doi.org/10.1016/j.drudis.2009.04.007openalex-snapshot
From fragment to clinical candidate—a historical perspective
inferredcites →https://doi.org/10.1016/j.jalz.2008.02.005openalex-snapshot
2008 Alzheimer's disease facts and figures
inferredcites →https://doi.org/10.1016/s0006-291x(67)80055-xopenalex-snapshot
On the size of the active site in proteases. I. Papain
inferredcites →https://doi.org/10.1016/s1359-6446(04)03069-7openalex-snapshot
Ligand efficiency: a useful metric for lead selection
inferredcites →https://doi.org/10.1021/bi048106kopenalex-snapshot
Structural Locations and Functional Roles of New Subsites S5, S6, and S7 in Memapsin 2 (β-Secretase),
inferredcites →https://doi.org/10.1021/bi060799copenalex-snapshot
The γ-Secretase Complex: Membrane-Embedded Proteolytic Ensemble
inferredcites →https://doi.org/10.1021/cn100007xopenalex-snapshot
Defining Desirable Central Nervous System Drug Space through the Alignment of Molecular Properties, in Vitro ADME, and Safety Attributes
inferredcites →https://doi.org/10.1021/ja00451a035openalex-snapshot
Inductive enhancement of aryl participation
inferredcites →https://doi.org/10.1021/jm049388popenalex-snapshot
Identification of a Small Molecule Nonpeptide Active Site β-Secretase Inhibitor That Displays a Nontraditional Binding Mode for Aspartyl Proteases
inferredcites →https://doi.org/10.1021/jm0607451openalex-snapshot
Acylguanidines as Small-Molecule β-Secretase Inhibitors
inferredcites →https://doi.org/10.1021/jm0611962openalex-snapshot
Application of Fragment Screening by X-ray Crystallography to β-Secretase
inferredcites →https://doi.org/10.1021/jm061197uopenalex-snapshot
Application of Fragment Screening by X-ray Crystallography to the Discovery of Aminopyridines as Inhibitors of β-Secretase
inferredcites →https://doi.org/10.1021/jm061242yopenalex-snapshot
Design, Synthesis, and Crystal Structure of Hydroxyethyl Secondary Amine-Based Peptidomimetic Inhibitors of Human β-Secretase
inferredcites →https://doi.org/10.1021/jm0705408openalex-snapshot
2-Amino-3,4-dihydroquinazolines as Inhibitors of BACE-1 (β-Site APP Cleaving Enzyme): Use of Structure Based Design to Convert a Micromolar Hit into a Nanomolar Lead
inferredcites →https://doi.org/10.1021/jm070825kopenalex-snapshot
Discovery of a Novel Warhead against β-Secretase through Fragment-Based Lead Generation
inferredcites →https://doi.org/10.1021/jm070829popenalex-snapshot
Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine β-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency
inferredcites →https://doi.org/10.1021/jm701142sopenalex-snapshot
Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold
inferredcites →https://doi.org/10.1021/jm800914nopenalex-snapshot
Discovery and X-ray Crystallographic Analysis of a Spiropiperidine Iminohydantoin Inhibitor of β-Secretase
inferredcites →https://doi.org/10.1021/jm901472uopenalex-snapshot
Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel μM Leads for the Development of nM BACE-1 (β-Site APP Cleaving Enzyme 1) Inhibitors
inferredcites →https://doi.org/10.1023/b:jnmr.0000032509.81283.d3openalex-snapshot
Letter to the Editor: Backbone Resonance Assignments of the 45.3 kDa Catalytic Domain of Human BACE1
inferredcites →https://doi.org/10.1038/271618a0openalex-snapshot
Structural evidence for gene duplication in the evolution of the acid proteases
inferredcites →https://doi.org/10.1074/jbc.m109266200openalex-snapshot
Substrate and Inhibitor Profile of BACE (β-Secretase) and Comparison with Other Mammalian Aspartic Proteases
inferredcites →https://doi.org/10.1107/s0907444904019158openalex-snapshot
Coot : model-building tools for molecular graphics
inferredcites →https://doi.org/10.1107/s090744499900935xopenalex-snapshot
The finer things in X-ray diffraction data collection
inferredcites →https://doi.org/10.1124/dmd.107.017434openalex-snapshot
In Vitro P-glycoprotein Assays to Predict the in Vivo Interactions of P-glycoprotein with Drugs in the Central Nervous System
inferredcites →https://doi.org/10.1126/science.290.5489.150openalex-snapshot
Structure of the Protease Domain of Memapsin 2 (β-Secretase) Complexed with Inhibitor
inferredcites →https://doi.org/10.1212/01.wnl.0000129697.01779.0aopenalex-snapshot
The importance of neuritic plaques and tangles to the development and evolution of AD
inferredcites →https://doi.org/10.1517/17460440902806377openalex-snapshot
Recent progress in the drug discovery of non-peptidic BACE1 inhibitors
inferredcites →https://doi.org/10.1523/jneurosci.3647-11.2011openalex-snapshot
Robust Central Reduction of Amyloid-β in Humans with an Orally Available, Non-Peptidic β-Secretase Inhibitor
inferredcites →https://doi.org/10.1602/neurorx.2.4.541openalex-snapshot
Medicinal chemical properties of successful central nervous system drugs
inferredcites →https://doi.org/10.2174/092986608783489553openalex-snapshot
High Yield Expression of Human BACE Constructs in Eschericia coli for Refolding, Purification, and High Resolution Diffracting Crystal Forms
inferredcites →https://doi.org/10.2174/138161207779313560openalex-snapshot
Aspartic Proteases in Drug Discovery
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9783527677016.ch13openalex-snapshot
Construction of Drug‐Like Compounds by Markov Chains
inferred← citeshttps://doi.org/10.1002/9783527677016.ch6openalex-snapshot
Hit and Lead Identification from Fragments
inferred← citeshttps://doi.org/10.1002/9783527677047.ch06openalex-snapshot
Fragment‐Based Lead Generation
inferred← citeshttps://doi.org/10.1002/9783527683604.ch02openalex-snapshot
Selecting the Right Targets for Fragment‐Based Drug Discovery
inferred← citeshttps://doi.org/10.1002/9783527683604.ch19openalex-snapshot
An Integrated Approach for Fragment‐Based Lead Discovery: Virtual, NMR, and High‐Throughput Screening Combined with Structure‐Guided Design. Application to the Aspartyl Protease Renin.
inferred← citeshttps://doi.org/10.1002/advs.202405404openalex-snapshot
From Static to Dynamic Structures: Improving Binding Affinity Prediction with Graph‐Based Deep Learning
inferred← citeshttps://doi.org/10.1002/ajoc.201500306openalex-snapshot
Organocatalytic Enantioselective Cascade Aza‐Michael/Michael Addition Sequence for Asymmetric Synthesis of Chiral Spiro[pyrrolidine‐3,3′‐oxindole]s
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inferred← citeshttps://doi.org/10.1002/ejoc.201300376openalex-snapshot
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Tandem Prins Strategy for the Synthesis of Spiropyrrolidine and Spiropiperidine Derivatives
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Suzuki–Miyaura Reactions of Halospirooxindole Derivatives
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Effect of sampling on BACE-1 ligands binding free energy predictions via MM-PBSA calculations
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Targeting β-Secretase (BACE) for the Treatment of Alzheimer’s Disease
inferred← citeshttps://doi.org/10.1016/b978-0-443-22324-2.00011-4openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.bbrc.2013.12.088openalex-snapshot
Mechanistic insights into mode of action of potent natural antagonists of BACE-1 for checking Alzheimer’s plaque pathology
inferred← citeshttps://doi.org/10.1016/j.bmc.2021.116270openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.bmcl.2013.03.009openalex-snapshot
Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors
inferred← citeshttps://doi.org/10.1016/j.bmcl.2014.06.081openalex-snapshot
The use of spirocyclic scaffolds in drug discovery
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Inhibitors of BACE for treating Alzheimer's disease: a fragment-based drug discovery story
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Design and synthesis of 3′-(prop-2-yn-1-yloxy)-biphenyl substituted cyclic acylguanidine compounds as BACE1 inhibitors
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inferred← citeshttps://doi.org/10.1016/j.pneurobio.2018.12.006openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.tet.2014.08.005openalex-snapshot
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Cosolvent Simulations with Fragment-Bound Proteins Identify Hot Spots to Direct Lead Growth
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Recent Advances in the Synthesis of Pyrrolidines
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