Published in Biochemistry on May 18, 2010
Nicotinic receptors in neurodegeneration. Curr Neuropharmacol (2013) 0.91
Modulatory effects of α7 nAChRs on the immune system and its relevance for CNS disorders. Cell Mol Life Sci (2016) 0.88
Covalent trapping of methyllycaconitine at the α4-α4 interface of the α4β2 nicotinic acetylcholine receptor: antagonist binding site and mode of receptor inhibition revealed. J Biol Chem (2013) 0.80
Pro-cognitive activity in rats of 3-furan-2-yl-N-p-tolyl-acrylamide, a positive allosteric modulator of the α7 nicotinic acetylcholine receptor. Br J Pharmacol (2015) 0.75
Alpha7 neuronal nicotinic acetylcholine receptors are negatively regulated by tyrosine phosphorylation and Src-family kinases. J Neurosci (2005) 1.30
Binding mechanism of coronavirus main proteinase with ligands and its implication to drug design against SARS. Biochem Biophys Res Commun (2003) 1.18
Thermal decomposition of the solid phase of nitromethane: ab initio molecular dynamics simulations. Phys Rev Lett (2010) 1.05
First-principles study of high-pressure behavior of solid beta-HMX. J Phys Chem A (2010) 1.00
An accurate feature-based method for identifying DNA-binding residues on protein surfaces. Proteins (2011) 1.00
Study of the calcium dynamics of the human alpha4beta2, alpha3beta4 and alpha1beta1gammadelta nicotinic acetylcholine receptors. Naunyn Schmiedebergs Arch Pharmacol (2002) 0.96
Molecular insights of SAH enzyme catalysis and implication for inhibitor design. J Theor Biol (2006) 0.96
Virtual screening for SARS-CoV protease based on KZ7088 pharmacophore points. J Chem Inf Comput Sci (2004) 0.95
Molecular dynamics studies on T1 lipase: insight into a double-flap mechanism. J Chem Inf Model (2010) 0.95
Molecular modeling of two CYP2C19 SNPs and its implications for personalized drug design. Protein Pept Lett (2008) 0.94
A negative cooperativity mechanism of human CYP2E1 inferred from molecular dynamics simulations and free energy calculations. J Chem Inf Model (2011) 0.94
Functional expression of the serotonin 5-HT7 receptor in human glioblastoma cell lines. Br J Pharmacol (2004) 0.93
An allosteric mechanism inferred from molecular dynamics simulations on phospholamban pentamer in lipid membranes. PLoS One (2011) 0.91
Molecular dynamics studies on the interactions of PTP1B with inhibitors: from the first phosphate-binding site to the second one. Protein Eng Des Sel (2009) 0.91
Functional characterization of the novel antipsychotic iloperidone at human D2, D3, alpha 2C, 5-HT6, and 5-HT1A receptors. Life Sci (2003) 0.90
Drug candidates from traditional chinese medicines. Curr Top Med Chem (2008) 0.90
Progress in computational approach to drug development against SARS. Curr Med Chem (2006) 0.89
Structure of cytochrome p450s and personalized drug. Curr Med Chem (2009) 0.89
Compensatory changes in the hippocampus of somatostatin knockout mice: upregulation of somatostatin receptor 2 and its function in the control of bursting activity and synaptic transmission. Eur J Neurosci (2006) 0.89
3D structure modeling of cytochrome P450 2C19 and its implication for personalized drug design. Biochem Biophys Res Commun (2007) 0.89
Pharmacological profile of somatostatin and cortistatin receptors. Mol Cell Endocrinol (2007) 0.88
Interaction of bupropion with muscle-type nicotinic acetylcholine receptors in different conformational states. Biochemistry (2009) 0.88
Advances in human cytochrome p450 and personalized medicine. Curr Drug Metab (2011) 0.88
Free energy calculations on the two drug binding sites in the M2 proton channel. J Am Chem Soc (2011) 0.86
Reversal of coenzyme specificity and improvement of catalytic efficiency of Pichia stipitis xylose reductase by rational site-directed mutagenesis. Biotechnol Lett (2009) 0.85
Structural and energetic analysis of drug inhibition of the influenza A M2 proton channel. Trends Pharmacol Sci (2013) 0.85
Initial decomposition of the condensed-phase β-HMX under shock waves: molecular dynamics simulations. J Phys Chem B (2012) 0.85
Tricyclic antidepressants and mecamylamine bind to different sites in the human alpha4beta2 nicotinic receptor ion channel. Int J Biochem Cell Biol (2010) 0.84
Differential inverse agonist efficacies of SB-258719, SB-258741 and SB-269970 at human recombinant serotonin 5-HT7 receptors. Eur J Pharmacol (2004) 0.84
Toward selective ERbeta agonists for central nervous system disorders: synthesis and characterization of aryl benzthiophenes. J Med Chem (2002) 0.83
Inhibitory mechanisms and binding site location for serotonin selective reuptake inhibitors on nicotinic acetylcholine receptors. Int J Biochem Cell Biol (2010) 0.83
Structural comparison of the wild-type and drug-resistant mutants of the influenza A M2 proton channel by molecular dynamics simulations. J Phys Chem B (2013) 0.83
Computational studies of the binding mechanism of calmodulin with chrysin. Biochem Biophys Res Commun (2007) 0.83
Novel positive allosteric modulators of the human α7 nicotinic acetylcholine receptor. Biochemistry (2011) 0.82
Blocking metabotropic glutamate receptor subtype 7 (mGlu7) via the Venus flytrap domain (VFTD) inhibits amygdala plasticity, stress, and anxiety-related behavior. J Biol Chem (2014) 0.82
Screening for new agonists against Alzheimer's disease. Med Chem (2007) 0.82
Norchloro-fluoro-homoepibatidine: specificity to neuronal nicotinic acetylcholine receptor subtypes in vitro. Farmaco (2004) 0.82
Different interaction between tricyclic antidepressants and mecamylamine with the human alpha3beta4 nicotinic acetylcholine receptor ion channel. Neurochem Int (2010) 0.81
X-ray structure of a Hg2+ complex of mercuric reductase (MerA) and quantum mechanical/molecular mechanical study of Hg2+ transfer between the C-terminal and buried catalytic site cysteine pairs. Biochemistry (2014) 0.81
Binding mechanism of H5N1 influenza virus neuraminidase with ligands and its implication for drug design. Med Chem (2009) 0.81
Possible drug candidates for Alzheimer's disease deduced from studying their binding interactions with alpha7 nicotinic acetylcholine receptor. Med Chem (2009) 0.81
Binding of CYP2C9 with diverse drugs and its implications for metabolic mechanism. Med Chem (2009) 0.81
Insights from investigating the interactions of adamantane-based drugs with the M2 proton channel from the H1N1 swine virus. Biochem Biophys Res Commun (2009) 0.81
Interaction of selective serotonin reuptake inhibitors with neuronal nicotinic acetylcholine receptors. Biochemistry (2010) 0.80
Molecular dynamics simulations of CYP2E1. Med Chem (2012) 0.80
Interaction of 18-methoxycoronaridine with nicotinic acetylcholine receptors in different conformational states. Biochim Biophys Acta (2010) 0.80
Insights from modeling the 3D structure of NAD(P)H-dependent D-xylose reductase of Pichia stipitis and its binding interactions with NAD and NADP. Biochem Biophys Res Commun (2007) 0.80
Synthesis and activity of an octapeptide inhibitor designed for SARS coronavirus main proteinase. Peptides (2005) 0.80
Computational approach to drug design for oxazolidinones as antibacterial agents. Med Chem (2007) 0.80
Exploring the ligand-protein networks in traditional chinese medicine: current databases, methods, and applications. Evid Based Complement Alternat Med (2013) 0.80
Molecular modeling studies of peptide drug candidates against SARS. Med Chem (2006) 0.79
Pharmacogenomics and personalized use of drugs. Curr Top Med Chem (2008) 0.79
Role of structural bioinformatics and traditional Chinese medicine databases in pharmacogenomics. Pharmacogenomics (2009) 0.79
Agaritine and its derivatives are potential inhibitors against HIV proteases. Med Chem (2007) 0.79
Long-range effects of a peripheral mutation on the enzymatic activity of cytochrome P450 1A2. J Chem Inf Model (2011) 0.79
Structural flexibility and interactions of PTP1B's S-loop. Interdiscip Sci (2009) 0.78
Autoinhibitory mechanism for the mutation-induced impaired FGF9 signaling. J Chem Inf Model (2012) 0.78
A theoretical study on the mechanism of a superficial mutation inhibiting the enzymatic activity of CYP1A2. Interdiscip Sci (2014) 0.78
Free energy calculations and binding analysis of two potential anti- influenza drugs with Polymerase basic protein-2 (PB2). Protein Pept Lett (2011) 0.78
Editorial: SNPs of drug metabolic enzymes and personalized medicine Part II. Curr Drug Metab (2012) 0.77
Structural and functional interaction of (±)-2-(N-tert-butylamino)-3'-iodo-4'-azidopropiophenone, a photoreactive bupropion derivative, with nicotinic acetylcholine receptors. Neurochem Int (2012) 0.77
Pharmacological characterisation of the goldfish somatostatin sst5 receptor. Eur J Pharmacol (2002) 0.77
In silico prediction of cytochrome P450-mediated drug metabolism. Comb Chem High Throughput Screen (2011) 0.77
Car-Parrinello molecular dynamics/molecular mechanics (CPMD/MM) simulation study of coupling and uncoupling mechanisms of Cytochrome P450cam. J Phys Chem B (2013) 0.76
Interaction of ibogaine with human alpha3beta4-nicotinic acetylcholine receptors in different conformational states. Int J Biochem Cell Biol (2010) 0.76
Recent progress on bioinformatics, functional genomics, and metabolomics research of cytochrome P450 and its impact on drug discovery. Curr Top Med Chem (2012) 0.76
Structural basis of agonist selectivity for different nAChR subtypes: insights from crystal structures, mutation experiments and molecular simulations. Curr Pharm Des (2011) 0.76
Catharanthine alkaloids are noncompetitive antagonists of muscle-type nicotinic acetylcholine receptors. Neurochem Int (2010) 0.76
Gamma-lactams--a novel scaffold for highly potent and selective alpha 7 nicotinic acetylcholine receptor agonists. Bioorg Med Chem Lett (2009) 0.76
Predicting protein-ligand binding sites based on an improved geometric algorithm. Protein Pept Lett (2011) 0.76
A pharmacophore model specific to active site of CYP1A2 with a novel molecular modeling explorer and CoMFA. Med Chem (2012) 0.75
Functional and structural interaction of (-)-reboxetine with the human α4β2 nicotinic acetylcholine receptor. J Pharmacol Exp Ther (2012) 0.75
BioNetSim: a Petri net-based modeling tool for simulations of biochemical processes. Protein Cell (2012) 0.75
Virtual screening for alpha7 nicotinic acetylcholine receptor for treatment of Alzheimer's disease. J Mol Graph Model (2012) 0.75
Insight into the metabolism rate of quinone analogues from molecular dynamics simulation and 3D-QSMR methods. Chem Biol Drug Des (2007) 0.75
SCYPPred: a web-based predictor of SNPs for human cytochrome P450. Protein Pept Lett (2012) 0.75
New drug design based on multi-targets and system biology approach in light of real time DNA sequencing technologies. Curr Top Med Chem (2012) 0.75
Differential pharmacological activity of JN403 between α7 and muscle nicotinic acetylcholine receptors. Biochemistry (2013) 0.75
Structure-activity relationship of ibogaine analogs interacting with nicotinic acetylcholine receptors in different conformational states. Int J Biochem Cell Biol (2011) 0.75
Novel 2-(substituted benzyl)quinuclidines inhibit human α7 and α4β2 nicotinic receptors by different mechanisms. Int J Biochem Cell Biol (2013) 0.75
The computational model to predict accurately inhibitory activity for inhibitors towards CYP3A4. Comput Biol Med (2010) 0.75
Thermal decomposition of solid phase nitromethane under various heating rates and target temperatures based on ab initio molecular dynamics simulations. J Mol Model (2014) 0.75
Polyprotein cleavage mechanism of SARS CoV Mpro and chemical modification of the octapeptide. Peptides (2004) 0.75
Improved Prediction of Michaelis Constants in CYP450-Mediated Reactions by Resilient Back Propagation Algorithm. Curr Drug Metab (2016) 0.75
Improved feature-based prediction of SNPs in human cytochrome P450 enzymes. Interdiscip Sci (2015) 0.75
Ergoline-derived inverse agonists of the human h3 receptor for the treatment of narcolepsy. ChemMedChem (2014) 0.75
(-)-Reboxetine inhibits muscle nicotinic acetylcholine receptors by interacting with luminal and non-luminal sites. Neurochem Int (2013) 0.75
Anisotropic responses and initial decomposition of condensed-phase β-HMX under shock loadings via molecular dynamics simulations in conjunction with multiscale shock technique. J Phys Chem B (2014) 0.75
Prediction and functional analysis of single nucleotide polymorphisms. Curr Drug Metab (2012) 0.75
Mutation probability of cytochrome P450 based on a genetic algorithm and support vector machine. Biotechnol J (2011) 0.75
From ergolines to indoles: improved inhibitors of the human H3 receptor for the treatment of narcolepsy. ChemMedChem (2014) 0.75
SNPS of drug metabolic enzymes and personalized medicine: part I. Curr Drug Metab (2011) 0.75