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Mind the Gap! A Journey towards Computational Toxicology.
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- Molecular Informatics, 2016, v. 35, n. 8/9, p. 294, doi. 10.1002/minf.201501017
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- Article
Discovery of a Potent and Selective Hetero-Bivalent AChE Inhibitor via Bioisosteric Replacement.
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- Molecular Informatics, 2011, v. 30, n. 2/3, p. 133, doi. 10.1002/minf.201000126
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- Article
Tandem Cleavage of Hydrogenated β- and γ-Carbolines − New Practical Synthesis of Tetrahydroazocino[4,5-b]indoles and Tetrahydroazocino[5,4-b]indoles Showing Acetylcholinesterase Inhibitory Activity.
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- European Journal of Organic Chemistry, 2004, v. 2004, n. 14, p. 3128, doi. 10.1002/ejoc.200400107
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- Article
Coumarin: A Natural, Privileged and Versatile Scaffold for Bioactive Compounds.
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- Molecules, 2018, v. 23, n. 2, p. 250, doi. 10.3390/molecules23020250
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- Article
Searching for Multi-Targeting Neurotherapeutics against Alzheimer’s: Discovery of Potent AChE-MAO B Inhibitors through the Decoration of the 2H-Chromen-2-one Structural Motif.
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- Molecules, 2016, v. 21, n. 3, p. 362, doi. 10.3390/molecules21030362
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- Article
Analysis of X-ray Structures of Matrix Metalloproteinases via Chaotic Map Clustering.
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- BMC Bioinformatics, 2010, v. 11, p. 500, doi. 10.1186/1471-2105-11-500
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- Article
Hydroxylation of 5 H-3-Oxo-2,3,6,7,8,9-hexahydroimidazo[1,2- a]azepine derivatives by molecular oxygen.
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- Journal of Heterocyclic Chemistry, 1990, v. 27, n. 7, p. 1973, doi. 10.1002/jhet.5570270723
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- Article
Screening of benzamidine-based thrombin inhibitors via a linear interaction energy in continuum electrostatics model.
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- Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 2, p. 117, doi. 10.1007/s10822-010-9320-1
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- Article
Substituent effects on the enantioselective retention of anti-HIV 5-aryl-Δ<sup>2</sup>-1,2,4-oxadiazolines on R, R-DACH-DNB chiral stationary phase.
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- Chirality, 1996, v. 8, n. 8, p. 556, doi. 10.1002/(SICI)1520-636X(1996)8:8<556::AID-CHIR4>3.0.CO;2-7
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- Article
Enantiomeric resolution of sulfoxides on a DACH-DNB chiral stationary phase: A quantitative structure-enantioselective retention relationship (QSERR) study.
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- Chirality, 1993, v. 5, n. 7, p. 527, doi. 10.1002/chir.530050709
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- Article
Extended form of a retro-inverso peptide stabilized by β-sheet unidirectional H-bonds: Crystallographic and NMR evidence.
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- Biopolymers, 2001, v. 60, n. 4, p. 322, doi. 10.1002/1097-0282(2001)60:4<322::AID-BIP9993>3.0.CO;2-Y
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- Article
Synthesis and Monoamine Oxidase Inhibitory Activity of 3-Substituted 5 H-Indeno[1,2- c]pyridazines.
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- Helvetica Chimica Acta, 1993, v. 76, n. 5, p. 1956, doi. 10.1002/hlca.19930760514
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- Article
9,10-Anthraquinone hinders β-aggregation: How does a small molecule interfere with Aβ-peptide amyloid fibrillation?
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- Protein Science: A Publication of the Protein Society, 2009, v. 18, n. 4, p. 792, doi. 10.1002/pro.87
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- Article
A k-NN Algorithm for Predicting Oral Sub-Chronic Toxicity in the Rat.
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- Altex, 2014, v. 31, n. 4, p. 423, doi. 10.14573/altex.1405091s
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An Alternative QSAR-Based Approach for Predicting the Bioconcentration Factor for Regulatory Purposes.
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- Altex, 2014, p. 23, doi. 10.14573/altex.1305221
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- Article
CE can identify small molecules that selectively target soluble oligomers of amyloid β protein and display antifibrillogenic activity.
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- Electrophoresis, 2009, v. 30, n. 8, p. 1418, doi. 10.1002/elps.200800377
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- Article
Galloyl benzamide-based compounds modulating tumour necrosis factor α-stimulated c- Jun N-terminal kinase and p38 mitogen-activated protein kinase signalling pathways.
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- Journal of Pharmacy & Pharmacology, 2015, v. 67, n. 10, p. 1380, doi. 10.1111/jphp.12438
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A Chemocentric Approach to the Identification of Cancer Targets.
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- PLoS ONE, 2012, v. 7, n. 4, p. 1, doi. 10.1371/journal.pone.0035582
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Insights into the Complex Formed by Matrix Metalloproteinase-2 and Alloxan Inhibitors: Molecular Dynamics Simulations and Free Energy Calculations.
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- PLoS ONE, 2011, v. 6, n. 10, p. 1, doi. 10.1371/journal.pone.0025597
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- Article
Multitarget Therapeutic Leads for Alzheimer's Disease: Quinolizidinyl Derivatives of Bi- and Tricyclic Systems as Dual Inhibitors of Cholinesterases and β-Amyloid (Aβ) Aggregation.
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- ChemMedChem, 2015, v. 10, n. 6, p. 1040, doi. 10.1002/cmdc.201500104
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Multitarget-Directed Tricyclic Pyridazinones as G Protein-Coupled Receptor Ligands and Cholinesterase Inhibitors.
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- ChemMedChem, 2015, v. 10, n. 6, p. 1054, doi. 10.1002/cmdc.201500124
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Design, Synthesis, and Biological Evaluation of 2-Aminobenzanilide Derivatives as Potent and Selective HDAC Inhibitors.
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- ChemMedChem, 2012, v. 7, n. 7, p. 1256, doi. 10.1002/cmdc.201200193
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Carbamate Prodrug Concept for Hydroxamate HDAC Inhibitors.
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- ChemMedChem, 2011, v. 6, n. 7, p. 1193, doi. 10.1002/cmdc.201100007
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Design, Synthesis, and Biological Evaluation of Coumarin Derivatives Tethered to an Edrophonium-like Fragment as Highly Potent and Selective Dual Binding Site Acetylcholinesterase Inhibitors.
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- ChemMedChem, 2010, v. 5, n. 9, p. 1616, doi. 10.1002/cmdc.201000210
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- Article
Three-dimensional model of the human aromatase enzyme and density functional parameterization of the iron-containing protoporphyrin IX for a molecular dynamics study of heme-cysteinato cytochromes.
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- Proteins, 2006, v. 62, n. 4, p. 1074, doi. 10.1002/prot.20829
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- Article
Lipophilicity Plays a Major Role in Modulating the Inhibition of Monoamine Oxidase B by 7-Substituted Coumarins.
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- Chemistry & Biodiversity, 2006, v. 3, n. 2, p. 134, doi. 10.1002/cbdv.200690017
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- Article
17β-Hydroxysteroid Dehydrogenase Type 2 Inhibition: Discovery of Selective and Metabolically Stable Compounds Inhibiting Both the Human Enzyme and Its Murine Ortholog.
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- PLoS ONE, 2015, v. 10, n. 7, p. 1, doi. 10.1371/journal.pone.0134754
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- Article