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Simple Structure-Based Approach for Predicting the Activity of Inhibitors of Beta-Secretase (BACE1) Associated with Alzheimer’s Disease
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/9783527628766openalex-snapshot
Molecular Descriptors for Chemoinformatics
inferredcites →https://doi.org/10.1002/jcc.20290openalex-snapshot
The Amber biomolecular simulation programs
inferredcites →https://doi.org/10.1002/jcc.21287openalex-snapshot
CHARMM: The biomolecular simulation program
inferredcites →https://doi.org/10.1002/med.20132openalex-snapshot
Boom in the development of non‐peptidic β‐secretase (BACE1) inhibitors for the treatment of Alzheimer's disease
inferredcites →https://doi.org/10.1002/prot.20512openalex-snapshot
Binding MOAD (Mother Of All Databases)
inferredcites →https://doi.org/10.1007/s10822-010-9378-9openalex-snapshot
Rationalizing fragment based drug discovery for BACE1: insights from FB-QSAR, FB-QSSR, multi objective (MO-QSPR) and MIF studies
inferredcites →https://doi.org/10.1016/0223-5234(91)90019-jopenalex-snapshot
QSAR: Rational approaches to the design of bioactive compounds
inferredcites →https://doi.org/10.1016/j.bmc.2010.03.043openalex-snapshot
Elaborate ligand-based pharmacophore exploration and QSAR analysis guide the synthesis of novel pyridinium-based potent β-secretase inhibitory leads
inferredcites →https://doi.org/10.1016/j.bmcl.2007.12.017openalex-snapshot
BACE-1 inhibitors Part 1: Identification of novel hydroxy ethylamines (HEAs)
inferredcites →https://doi.org/10.1016/j.bmcl.2007.12.019openalex-snapshot
BACE-1 inhibitors part 2: Identification of hydroxy ethylamines (HEAs) with reduced peptidic character
inferredcites →https://doi.org/10.1016/j.bmcl.2010.01.139openalex-snapshot
Structure-based design and synthesis of novel P2/P3 modified, non-peptidic β-secretase (BACE-1) inhibitors
inferredcites →https://doi.org/10.1016/s0006-3495(94)80717-9openalex-snapshot
Theoretical models of the ion channel structure of amyloid beta-protein
inferredcites →https://doi.org/10.1021/bi0498252openalex-snapshot
Flap Position of Free Memapsin 2 (β-Secretase), a Model for Flap Opening in Aspartic Protease Catalysis ,
inferredcites →https://doi.org/10.1021/bk-1999-0719.ch022openalex-snapshot
Is Rational Design Good for Anything?
inferredcites →https://doi.org/10.1021/ci8004429openalex-snapshot
Interpretation of the Binding Affinities of PTP1B Inhibitors with the MM-GB/SA Method and the X-Score Scoring Function
inferredcites →https://doi.org/10.1021/ci9000053openalex-snapshot
Comparative Assessment of Scoring Functions on a Diverse Test Set
inferredcites →https://doi.org/10.1021/ja00526a009openalex-snapshot
Electronic structures of cephalosporins and penicillins. 11. Parabolic relationships between antibacterial activity of cephalosporins and .beta.-lactam reactivity predicted from molecular orbital calculations
inferredcites →https://doi.org/10.1021/jm0203783openalex-snapshot
Comparative Evaluation of 11 Scoring Functions for Molecular Docking
inferredcites →https://doi.org/10.1021/jm030247hopenalex-snapshot
Human β-Secretase (BACE) and BACE Inhibitors
inferredcites →https://doi.org/10.1021/jm061046ropenalex-snapshot
Discovery of Oxadiazoyl Tertiary Carbinamine Inhibitors of β-Secretase (BACE-1)
inferredcites →https://doi.org/10.1021/jm061338sopenalex-snapshot
Design, Synthesis, and X-ray Structure of Potent Memapsin 2 (β-Secretase) Inhibitors with Isophthalamide Derivatives as the P2-P3-Ligands
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/jm201181fopenalex-snapshot
Design, Synthesis, and Qualitative Structure–Activity Evaluations of Novel β-Secretase Inhibitors as Potential Alzheimer’s Drug Leads
inferredcites →https://doi.org/10.1021/jm901414eopenalex-snapshot
Design and Synthesis of 5,5′-Disubstituted Aminohydantoins as Potent and Selective Human β-Secretase (BACE1) Inhibitors
inferredcites →https://doi.org/10.1021/jm980536jopenalex-snapshot
A General and Fast Scoring Function for Protein−Ligand Interactions: A Simplified Potential Approach
inferredcites →https://doi.org/10.1021/ml100164popenalex-snapshot
Drawing the PDB: Protein−Ligand Complexes in Two Dimensions
inferredcites →https://doi.org/10.1021/ml300058mopenalex-snapshot
The β-Amyloid Hypothesis in Alzheimer's Disease: Seeing Is Believing
inferredcites →https://doi.org/10.1023/a:1016357811882openalex-snapshot
Further development and validation of empirical scoring functions for structure-based binding affinity prediction
inferredcites →https://doi.org/10.1038/nature02621openalex-snapshot
Pathways towards and away from Alzheimer's disease
inferredcites →https://doi.org/10.1038/nchembio.920openalex-snapshot
Recall sugars, forget Alzheimer's
inferredcites →https://doi.org/10.1073/pnas.0813355106openalex-snapshot
Small molecule blockers of the Alzheimer Aβ calcium channel potently protect neurons from Aβ cytotoxicity
inferredcites →https://doi.org/10.1093/bioinformatics/btl150openalex-snapshot
Molecular complexes at a glance: automated generation of two-dimensional complex diagrams
inferredcites →https://doi.org/10.1093/nar/gkl999openalex-snapshot
BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities
inferredcites →https://doi.org/10.1093/nar/gkm911openalex-snapshot
Binding MOAD, a high-quality protein ligand database
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/10.1186/1471-2105-6-21openalex-snapshot
The Molecular Biology Toolkit (MBT): a modular platform for developing molecular visualization applications
inferredcites →https://doi.org/10.1515/bc.2010.089openalex-snapshot
Is BACE1 a suitable therapeutic target for the treatment of Alzheimer's disease? Current strategies and future directions
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/10.2174/1386207013330670openalex-snapshot
BindingDB: A Web-Accessible Molecular Recognition Database
inferredcites →https://doi.org/10.2174/156720508783954730openalex-snapshot
Memapsin 2 (Beta-Secretase) Inhibitors: Drug Development
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/med.21563openalex-snapshot
Multidisciplinary approaches for targeting the secretase protein family as a therapeutic route for Alzheimer's disease
inferred← citeshttps://doi.org/10.1007/978-1-0716-3311-3_3openalex-snapshot
Recent Advances in Computational Modeling of BACE1 Inhibitors as Anti-Alzheimer Agents
inferred← citeshttps://doi.org/10.1007/978-3-319-18365-7_5openalex-snapshot
Brain Food for Alzheimer-Free Ageing: Focus on Herbal Medicines
inferred← citeshttps://doi.org/10.1007/978-981-13-0944-1_23openalex-snapshot
Dietary Directions Against Dementia Disorders
inferred← citeshttps://doi.org/10.1007/978-981-13-6920-9_22openalex-snapshot
In-silico Targets in Neurodegenerative Disorders
inferred← citeshttps://doi.org/10.1016/j.ejmech.2016.08.028openalex-snapshot
Asp32 and Asp228 determine the selective inhibition of BACE1 as shown by docking and molecular dynamics simulations
inferred← citeshttps://doi.org/10.1016/j.jalz.2017.08.011openalex-snapshot
Knowledge‐driven computational modeling in Alzheimer's disease research: Current state and future trends
inferred← citeshttps://doi.org/10.1016/j.jmgm.2017.06.023openalex-snapshot
Multi-structure docking analysis of BACE1 crystal structures and non-peptidic ligands
inferred← citeshttps://doi.org/10.1016/j.phymed.2017.07.004openalex-snapshot
Ziziphus spinosa seeds for insomnia: A review of chemistry and psychopharmacology
inferred← citeshttps://doi.org/10.1038/s41598-019-45522-3openalex-snapshot
QSAR Classification Models for Predicting the Activity of Inhibitors of Beta-Secretase (BACE1) Associated with Alzheimer’s Disease
inferred← citeshttps://doi.org/10.1038/s41598-021-97962-5openalex-snapshot
Structure-based design and classifications of small molecules regulating the circadian rhythm period
inferred← citeshttps://doi.org/10.1039/c5mb00088bopenalex-snapshot
Target specific proteochemometric model development for BACE1 – protein flexibility and structural water are critical in virtual screening
inferred← citeshttps://doi.org/10.1080/07391102.2016.1276477openalex-snapshot
Computational analysis of BACE1-ligand complex crystal structures and linear discriminant analysis for identification of BACE1 inhibitors with anti P-glycoprotein binding property
inferred← citeshttps://doi.org/10.1080/07391102.2017.1337590openalex-snapshot
Fragment-based virtual screening approach and molecular dynamics simulation studies for identification of BACE1 inhibitor leads
inferred← citeshttps://doi.org/10.1201/9781315368863-12openalex-snapshot
High-Order Perturbation Theory Models of Drug-Target Interactomes for Proteins Expressed on Networks of Hippocampus Brain Region of Alzheimer Disease Patients
inferred← citeshttps://doi.org/10.14419/ijet.v7i1.9.9751openalex-snapshot
Computer aided drug design using virtual screening and molecular energy calculation of a specific neurodegenerative diseases
inferred← citeshttps://doi.org/10.1517/17460441.2014.909404openalex-snapshot
Advances in quantitative structure–activity relationship models of anti-Alzheimer’s agents
inferred← citeshttps://doi.org/10.3390/ijms21030703openalex-snapshot
Computer-Aided Drug Design of β-Secretase, γ-Secretase and Anti-Tau Inhibitors for the Discovery of Novel Alzheimer’s Therapeutics
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