Published in J Med Chem on November 17, 2005
Role of glycogen synthase kinase-3beta in cardioprotection. Circ Res (2009) 2.10
Rapid and selective death of leukemia stem and progenitor cells induced by the compound 4-benzyl, 2-methyl, 1,2,4-thiadiazolidine, 3,5 dione (TDZD-8). Blood (2007) 1.52
GSK3beta: role in therapeutic landscape and development of modulators. Br J Pharmacol (2010) 1.25
Evidence for irreversible inhibition of glycogen synthase kinase-3β by tideglusib. J Biol Chem (2011) 0.97
Glycogen synthase kinase 3 inhibitors in the next horizon for Alzheimer's disease treatment. Int J Alzheimers Dis (2011) 0.94
Tau as a therapeutic target for Alzheimer's disease. Curr Alzheimer Res (2011) 0.89
Structure-activity relationship and mechanism of action studies of manzamine analogues for the control of neuroinflammation and cerebral infections. J Med Chem (2010) 0.88
Identification and characterization of small molecule antagonists of pRb inactivation by viral oncoproteins. Chem Biol (2012) 0.86
Allosteric regulation of glycogen synthase kinase 3β: a theoretical study. Biochemistry (2010) 0.83
Use of molecular modeling, docking, and 3D-QSAR studies for the determination of the binding mode of benzofuran-3-yl-(indol-3-yl)maleimides as GSK-3beta inhibitors. J Mol Model (2009) 0.82
The marine natural-derived inhibitors of glycogen synthase kinase-3beta phenylmethylene hydantoins: In vitro and in vivo activities and pharmacophore modeling. Bioorg Med Chem (2009) 0.82
Thiadiazolidinones: a new class of alanine racemase inhibitors with antimicrobial activity against methicillin-resistant Staphylococcus aureus. Biochem Pharmacol (2011) 0.78
Glycogen synthase kinase-3 inhibition by 3-anilino-4-phenylmaleimides: insights from 3D-QSAR and docking. J Comput Aided Mol Des (2008) 0.77
Structure-guided design of a highly selective glycogen synthase kinase-3β inhibitor: a superior neuroprotective pyrazolone showing antimania effects. ChemMedChem (2011) 0.77
Discovery of 1,2,4-thiadiazolidine-3,5-dione analogs that exhibit unusual and selective rapid cell death kinetics against acute myelogenous leukemia cells in culture. Bioorg Med Chem Lett (2011) 0.76
Discovery and enantiocontrol of axially chiral urazoles via organocatalytic tyrosine click reaction. Nat Commun (2016) 0.75
Pharmacophore feature-based virtual screening for finding potent GSK-3 inhibitors using molecular docking and dynamics simulations. Bioinformation (2016) 0.75
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
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
Glycogen synthase kinase 3 (GSK-3) inhibitors as new promising drugs for diabetes, neurodegeneration, cancer, and inflammation. Med Res Rev (2002) 1.40
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
Glycogen synthase kinase-3 (GSK-3) inhibitors reach the clinic. Curr Opin Drug Discov Devel (2008) 1.18
The structure and dynamics of DNA in the gas phase. J Am Chem Soc (2003) 1.13
Meiotic regulation of the CDK activator RINGO/Speedy by ubiquitin-proteasome-mediated processing and degradation. Nat Cell Biol (2006) 1.12
Biomimetic chemical sensors using nanoelectronic readout of olfactory receptor proteins. ACS Nano (2011) 1.11
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
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
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
Transcriptional analysis of the response of Neurospora crassa to phytosphingosine reveals links to mitochondrial function. Microbiology (2009) 0.98
Shielded hydrogen bonds as structural determinants of binding kinetics: application in drug design. J Am Chem Soc (2011) 0.97
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
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
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
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
Effect of quinones on microtubule polymerization: a link between oxidative stress and cytoskeletal alterations in Alzheimer's disease. Biochim Biophys Acta (2004) 0.91
Toward accurate relative energy predictions of the bioactive conformation of drugs. J Comput Chem (2009) 0.91
Characteristics of the binding of thioflavin S to tau paired helical filaments. J Alzheimers Dis (2006) 0.90
Theoretical analysis of antisense duplexes: determinants of the RNase H susceptibility. J Am Chem Soc (2008) 0.90
Switching reversibility to irreversibility in glycogen synthase kinase 3 inhibitors: clues for specific design of new compounds. J Med Chem (2011) 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
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
Mechanism of product release in NO detoxification from Mycobacterium tuberculosis truncated hemoglobin N. J Am Chem Soc (2008) 0.88
Tacrine-based dual binding site acetylcholinesterase inhibitors as potential disease-modifying anti-Alzheimer drug candidates. Chem Biol Interact (2010) 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
On the performance of continuum solvation methods. A comment on "Universal approaches to solvation modeling". Acc Chem Res (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
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
Theoretical study of alkyl-pi and aryl-pi interactions. Reconciling theory and experiment. J Org Chem (2002) 0.87
The impact of monovalent ion force field model in nucleic acids simulations. Phys Chem Chem Phys (2009) 0.87
Tacrine-melatonin hybrids as multifunctional agents for Alzheimer's disease, with cholinergic, antioxidant, and neuroprotective properties. ChemMedChem (2009) 0.86
Taurine, an inducer for tau polymerization and a weak inhibitor for amyloid-beta-peptide aggregation. Neurosci Lett (2007) 0.86
Role of heme distortion on oxygen affinity in heme proteins: the protoglobin case. J Phys Chem B (2010) 0.86
Tramiprosate, a drug of potential interest for the treatment of Alzheimer's disease, promotes an abnormal aggregation of tau. Mol Neurodegener (2007) 0.86
Modulation of fungal sensitivity to staurosporine by targeting proteins identified by transcriptional profiling. Fungal Genet Biol (2011) 0.86
N-acylaminophenothiazines: neuroprotective agents displaying multifunctional activities for a potential treatment of Alzheimer's disease. Eur J Med Chem (2011) 0.85
P24, a glycogen synthase kinase 3 (GSK 3) inhibitor. Biochim Biophys Acta (2002) 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
Quinones facilitate the self-assembly of the phosphorylated tubulin binding region of tau into fibrillar polymers. Biochemistry (2004) 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
Ligand migration in Methanosarcina acetivorans protoglobin: effects of ligand binding and dimeric assembly. J Phys Chem B (2011) 0.84
Effect of increasing difficulty in standing balance tasks with visual feedback on postural sway and EMG: complexity and performance. Hum Mov Sci (2012) 0.84
Hydrophobic similarity between molecules: a MST-based hydrophobic similarity index. J Comput Chem (2002) 0.83
Activation of the aryl hydrocarbon receptor by carbaryl: Computational evidence of the ability of carbaryl to assume a planar conformation. Environ Toxicol Chem (2006) 0.83
Neuroprotective efficacy of quinazoline type phosphodiesterase 7 inhibitors in cellular cultures and experimental stroke model. Eur J Med Chem (2011) 0.83
Data mining of molecular dynamics trajectories of nucleic acids. J Biomol Struct Dyn (2006) 0.83
Structural determinants of ligand migration in Mycobacterium tuberculosis truncated hemoglobin O. Proteins (2008) 0.83
Huprine-tacrine heterodimers as anti-amyloidogenic compounds of potential interest against Alzheimer's and prion diseases. J Med Chem (2012) 0.82
MST continuum study of the hydration free energies of monovalent ionic species. J Phys Chem B (2005) 0.82
Old phenothiazine and dibenzothiadiazepine derivatives for tomorrow's neuroprotective therapies against neurodegenerative diseases. Eur J Med Chem (2010) 0.82
Multipotent, permeable drug ASS234 inhibits Aβ aggregation, possesses antioxidant properties and protects from Aβ-induced apoptosis in vitro. Curr Alzheimer Res (2013) 0.82
Reduced glutathione export during programmed cell death of Neurospora crassa. Apoptosis (2013) 0.82
Novel cholinesterase inhibitors as future effective drugs for the treatment of Alzheimer's disease. Expert Opin Investig Drugs (2006) 0.82
Partition of protein solvation into group contributions from molecular dynamics simulations. Proteins (2005) 0.82
Thienylhalomethylketones: Irreversible glycogen synthase kinase 3 inhibitors as useful pharmacological tools. Bioorg Med Chem (2009) 0.81
Unique tautomeric properties of isoguanine. J Am Chem Soc (2004) 0.81
Conjugate additions to phenylglycinol-derived unsaturated delta-lactams. Enantioselective synthesis of uleine alkaloids. J Org Chem (2004) 0.81
Patient-reported outcomes in subjects with neuropathic pain receiving pregabalin: evidence from medical practice in primary care settings. Pain Med (2010) 0.81
Structural plasticity and functional implications of internal cavities in distal mutants of type 1 non-symbiotic hemoglobin AHb1 from Arabidopsis thaliana. J Phys Chem B (2009) 0.81