Published in J Med Chem on May 17, 2011
GSK-3 Inhibitors: Preclinical and Clinical Focus on CNS. Front Mol Neurosci (2011) 1.47
Development of small-molecule probes that selectively kill cells induced to express mutant RAS. Bioorg Med Chem Lett (2011) 1.10
Small-Molecule Inhibitors of GSK-3: Structural Insights and Their Application to Alzheimer's Disease Models. Int J Alzheimers Dis (2012) 0.99
Glycogen synthase kinase 3 inhibition promotes adult hippocampal neurogenesis in vitro and in vivo. ACS Chem Neurosci (2012) 0.96
Glycogen synthase kinase-3 inhibitors as potent therapeutic agents for the treatment of Parkinson disease. ACS Chem Neurosci (2012) 0.89
Synthesis of [(18)F]Arenes via the Copper-Mediated [(18)F]Fluorination of Boronic Acids. Org Lett (2015) 0.88
Glycogen Synthase Kinase-3 (GSK-3)-Targeted Therapy and Imaging. Theranostics (2016) 0.84
Discovery of lacosamide affinity bait agents that exhibit potent voltage-gated sodium channel blocking properties. ACS Chem Neurosci (2013) 0.76
Small GSK-3 Inhibitor Shows Efficacy in a Motor Neuron Disease Murine Model Modulating Autophagy. PLoS One (2016) 0.75
Organic azides: an exploding diversity of a unique class of compounds. Angew Chem Int Ed Engl (2005) 3.62
First non-ATP competitive glycogen synthase kinase 3 beta (GSK-3beta) inhibitors: thiadiazolidinones (TDZD) as potential drugs for the treatment of Alzheimer's disease. J Med Chem (2002) 2.45
Non-ATP competitive glycogen synthase kinase 3beta (GSK-3beta) inhibitors: study of structural requirements for thiadiazolidinone derivatives. Bioorg Med Chem (2007) 1.98
Large outbreak of measles in a community with high vaccination coverage: implications for the vaccination schedule. Clin Infect Dis (2008) 1.85
Dynamics of B-DNA on the microsecond time scale. J Am Chem Soc (2007) 1.78
Theoretical methods for the simulation of nucleic acids. Chem Soc Rev (2003) 1.77
Towards a molecular dynamics consensus view of B-DNA flexibility. Nucleic Acids Res (2008) 1.56
The relative flexibility of B-DNA and A-RNA duplexes: database analysis. Nucleic Acids Res (2004) 1.52
Binding site detection and druggability index from first principles. J Med Chem (2009) 1.49
Nature of base stacking: reference quantum-chemical stacking energies in ten unique B-DNA base-pair steps. Chemistry (2006) 1.46
MDpocket: open-source cavity detection and characterization on molecular dynamics trajectories. Bioinformatics (2011) 1.44
Construction of simplified models to simulate estrogenic disruptions by esters of 4-hydroxy benzoic acid (parabens). Biophys Chem (2008) 1.39
Frontiers in molecular dynamics simulations of DNA. Acc Chem Res (2011) 1.38
Regulation of inflammatory response in neural cells in vitro by thiadiazolidinones derivatives through peroxisome proliferator-activated receptor gamma activation. J Biol Chem (2005) 1.34
Structure, recognition properties, and flexibility of the DNA.RNA hybrid. J Am Chem Soc (2005) 1.26
A cost-consequences analysis of the effect of pregabalin in the treatment of peripheral neuropathic pain in routine medical practice in primary care settings. BMC Neurol (2011) 1.21
Cyclic nucleotide phosphodiesterases and their role in immunomodulatory responses: advances in the development of specific phosphodiesterase inhibitors. Med Res Rev (2005) 1.21
The structure and dynamics of DNA in the gas phase. J Am Chem Soc (2003) 1.13
SAR and 3D-QSAR studies on thiadiazolidinone derivatives: exploration of structural requirements for glycogen synthase kinase 3 inhibitors. J Med Chem (2005) 1.11
Protein kinases CK1 and CK2 as new targets for neurodegenerative diseases. Med Res Rev (2010) 1.09
Toward Improved Description of DNA Backbone: Revisiting Epsilon and Zeta Torsion Force Field Parameters. J Chem Theory Comput (2013) 1.09
G-quadruplexes can maintain their structure in the gas phase. J Am Chem Soc (2006) 1.09
Theoretical study of a new DNA structure: the antiparallel Hoogsteen duplex. J Am Chem Soc (2003) 1.06
Ligand-induced dynamical regulation of NO conversion in Mycobacterium tuberculosis truncated hemoglobin-N. Proteins (2006) 1.06
Glycogen synthase kinase-3 (GSK-3) inhibitory activity and structure-activity relationship (SAR) studies of the manzamine alkaloids. Potential for Alzheimer's disease. J Nat Prod (2007) 1.05
Design, synthesis, and biological evaluation of dual binding site acetylcholinesterase inhibitors: new disease-modifying agents for Alzheimer's disease. J Med Chem (2005) 1.05
The recent impact of solid-phase synthesis on medicinally relevant benzoannelated nitrogen heterocycles. Bioorg Med Chem (2002) 1.03
Novel donepezil-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation. J Med Chem (2008) 1.03
Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem (2009) 1.01
Exploring the size limit of templates for inhibitors of the M2 ion channel of influenza A virus. J Med Chem (2011) 1.00
Bap, a biofilm matrix protein of Staphylococcus aureus prevents cellular internalization through binding to GP96 host receptor. PLoS Pathog (2012) 1.00
Nature of minor-groove binders-DNA complexes in the gas phase. J Am Chem Soc (2005) 1.00
Are the hydrogen bonds of RNA (AU) stronger than those of DNA (AT)? A quantum mechanics study. Chemistry (2005) 0.99
Theoretical study of the truncated hemoglobin HbN: exploring the molecular basis of the NO detoxification mechanism. J Am Chem Soc (2005) 0.99
Hoogsteen-based parallel-stranded duplexes of DNA. Effect of 8-amino-purine derivatives. J Am Chem Soc (2002) 0.99
Shielded hydrogen bonds as structural determinants of binding kinetics: application in drug design. J Am Chem Soc (2011) 0.97
Polymorphisms in the thymidylate synthase and dihydropyrimidine dehydrogenase genes predict response and toxicity to capecitabine-raltitrexed in colorectal cancer. Oncol Rep (2007) 0.96
Glycogen synthase kinase 3 inhibition promotes adult hippocampal neurogenesis in vitro and in vivo. ACS Chem Neurosci (2012) 0.96
Relative contributions of lipooligosaccharide inner and outer core modifications to nontypeable Haemophilus influenzae pathogenesis. Infect Immun (2013) 0.96
A microscopic study of the deoxyhemoglobin-catalyzed generation of nitric oxide from nitrite anion. Biochemistry (2008) 0.96
Protein flexibility and ligand recognition: challenges for molecular modeling. Curr Top Med Chem (2011) 0.96
Glycogen synthase kinase 3 inhibitors in the next horizon for Alzheimer's disease treatment. Int J Alzheimers Dis (2011) 0.94
Design, synthesis, and evaluation of potential inhibitors of nitric oxide synthase. Bioorg Med Chem (2008) 0.94
Geometrical and electronic structure variability of the sugar-phosphate backbone in nucleic acids. J Phys Chem B (2008) 0.93
Regulation of Th1 cells and experimental autoimmune encephalomyelitis by glycogen synthase kinase-3. J Immunol (2013) 0.93
Patient-reported-outcomes in subjects with painful lumbar or cervical radiculopathy treated with pregabalin: evidence from medical practice in primary care settings. Rheumatol Int (2009) 0.92
β-N-methylamino-l-alanine causes neurological and pathological phenotypes mimicking Amyotrophic Lateral Sclerosis (ALS): the first step towards an experimental model for sporadic ALS. Environ Toxicol Pharmacol (2013) 0.92
Novel tacrine-8-hydroxyquinoline hybrids as multifunctional agents for the treatment of Alzheimer's disease, with neuroprotective, cholinergic, antioxidant, and copper-complexing properties. J Med Chem (2010) 0.91
Toward accurate relative energy predictions of the bioactive conformation of drugs. J Comput Chem (2009) 0.91
Theoretical analysis of antisense duplexes: determinants of the RNase H susceptibility. J Am Chem Soc (2008) 0.90
Electrostatic component of solvation: comparison of SCRF continuum models. J Comput Chem (2003) 0.90
Dynamical regulation of ligand migration by a gate-opening molecular switch in truncated hemoglobin-N from Mycobacterium tuberculosis. J Am Chem Soc (2007) 0.90
New tacrine-4-oxo-4H-chromene hybrids as multifunctional agents for the treatment of Alzheimer's disease, with cholinergic, antioxidant, and β-amyloid-reducing properties. J Med Chem (2012) 0.89
Exploring the binding sites of glycogen synthase kinase 3. Identification and characterization of allosteric modulation cavities. J Med Chem (2011) 0.89
Mechanism of product release in NO detoxification from Mycobacterium tuberculosis truncated hemoglobin N. J Am Chem Soc (2008) 0.88
Novel tacrine-melatonin hybrids as dual-acting drugs for Alzheimer disease, with improved acetylcholinesterase inhibitory and antioxidant properties. J Med Chem (2006) 0.88
Role of Pre-A motif in nitric oxide scavenging by truncated hemoglobin, HbN, of Mycobacterium tuberculosis. J Biol Chem (2009) 0.88
Tacrine-based dual binding site acetylcholinesterase inhibitors as potential disease-modifying anti-Alzheimer drug candidates. Chem Biol Interact (2010) 0.88
Carotenoids can act as antioxidants by oxidizing the superoxide radical anion. Phys Chem Chem Phys (2009) 0.88
Time-series analysis of meningococcal disease in Catalonia. Ann Epidemiol (2007) 0.88
Induction effects in metal cation-benzene complexes. Phys Chem Chem Phys (2008) 0.88
Theoretical studies on the inhibition mechanism of cyclooxygenase-2. Is there a unique recognition site? J Med Chem (2003) 0.87
The impact of monovalent ion force field model in nucleic acids simulations. Phys Chem Chem Phys (2009) 0.87
Theoretical study of anion binding to calix[4]pyrrole: the effects of solvent, fluorine substitution, cosolute, and water traces. J Am Chem Soc (2002) 0.87
On the performance of continuum solvation methods. A comment on "Universal approaches to solvation modeling". Acc Chem Res (2009) 0.87
Theoretical study of alkyl-pi and aryl-pi interactions. Reconciling theory and experiment. J Org Chem (2002) 0.87
Nitric oxide reactivity with globins as investigated through computer simulation. Methods Enzymol (2008) 0.87
Synthesis, structural analysis, and biological evaluation of thioxoquinazoline derivatives as phosphodiesterase 7 inhibitors. ChemMedChem (2009) 0.87
Role of heme distortion on oxygen affinity in heme proteins: the protoglobin case. J Phys Chem B (2010) 0.86
Tacrine-melatonin hybrids as multifunctional agents for Alzheimer's disease, with cholinergic, antioxidant, and neuroprotective properties. ChemMedChem (2009) 0.86
Carbohydrates and their free radical scavenging capability: a theoretical study. J Phys Chem B (2012) 0.85
Dual inhibitor of PDE7 and GSK-3-VP1.15 acts as antipsychotic and cognitive enhancer in C57BL/6J mice. Neuropharmacology (2012) 0.85
Cardiac sympathetic denervation in symptomatic and asymptomatic carriers of the E46K mutation in the α synuclein gene. Parkinsonism Relat Disord (2012) 0.85
Subcellular localization of the interaction between the human immunodeficiency virus transactivator Tat and the nucleosome assembly protein 1. Amino Acids (2009) 0.85
Phosphodiesterase 7 inhibition preserves dopaminergic neurons in cellular and rodent models of Parkinson disease. PLoS One (2011) 0.85
Crosstalk between phosphodiesterase 7 and glycogen synthase kinase-3: two relevant therapeutic targets for neurological disorders. ACS Chem Neurosci (2014) 0.85
N-acylaminophenothiazines: neuroprotective agents displaying multifunctional activities for a potential treatment of Alzheimer's disease. Eur J Med Chem (2011) 0.85
Phosphodiesterase 7 inhibitor reduced cognitive impairment and pathological hallmarks in a mouse model of Alzheimer's disease. Neurobiol Aging (2013) 0.85
Neuroprotective effect of the new thiadiazolidinone NP00111 against oxygen-glucose deprivation in rat hippocampal slices: implication of ERK1/2 and PPARgamma receptors. Exp Neurol (2008) 0.85
Epidemiology of two large measles virus outbreaks in Catalonia: what a difference the month of administration of the first dose of vaccine makes. Hum Vaccin Immunother (2013) 0.85
Aetiology and epidemiology of viral gastroenteritis outbreaks in Catalonia (Spain) in 2004-2005. J Clin Virol (2008) 0.85
Role of stacking interactions in the binding sequence preferences of DNA bis-intercalators: insight from thermodynamic integration free energy simulations. Nucleic Acids Res (2005) 0.84
Ligand migration in Methanosarcina acetivorans protoglobin: effects of ligand binding and dimeric assembly. J Phys Chem B (2011) 0.84
5-imino-1,2,4-thiadiazoles: first small molecules as substrate competitive inhibitors of glycogen synthase kinase 3. J Med Chem (2012) 0.84