Design, synthesis, and biological evaluation of the N-diarylalkenyl-piperidinecarboxylic acid derivatives as GABA uptake inhibitors (I).

Classification of High-Activity Tiagabine Analogs by Binary QSAR Modeling. Mol Inform (2013) 0.76

Molecular docking based screening of GABA (A) receptor inhibitors from plant derivatives. Bioinformation (2015) 0.75

Sphingosine-1-phosphate is a missing cofactor for the E3 ubiquitin ligase TRAF2. Nature (2010) 3.59

Structure of the CCR5 chemokine receptor-HIV entry inhibitor maraviroc complex. Science (2013) 3.17

Predicting protein-protein interactions based only on sequences information. Proc Natl Acad Sci U S A (2007) 3.06

Molecular mimicry regulates ABA signaling by SnRK2 kinases and PP2C phosphatases. Science (2011) 2.52

Thymine DNA glycosylase specifically recognizes 5-carboxylcytosine-modified DNA. Nat Chem Biol (2012) 2.45

PDTD: a web-accessible protein database for drug target identification. BMC Bioinformatics (2008) 2.35

TarFisDock: a web server for identifying drug targets with docking approach. Nucleic Acids Res (2006) 2.26

The 2009 pandemic H1N1 neuraminidase N1 lacks the 150-cavity in its active site. Nat Struct Mol Biol (2010) 1.98

Structural basis for molecular recognition at serotonin receptors. Science (2013) 1.86

Mechanically induced titin kinase activation studied by force-probe molecular dynamics simulations. Biophys J (2004) 1.70

Halogen bonding--a novel interaction for rational drug design? J Med Chem (2009) 1.68

A nonproton ligand sensor in the acid-sensing ion channel. Neuron (2010) 1.52

Concern Human amniotic epithelial cells can differentiate into granulosa cells and restore folliculogenesis in a mouse model of chemotherapy-induced premature ovarian failure. Stem Cell Res Ther (2013) 1.52

PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach. Nucleic Acids Res (2010) 1.50

Structural basis for the regulation of cysteine-protease activity by a new class of protease inhibitors in Plasmodium. Structure (2011) 1.46

Crystal structure of HAb18G/CD147: implications for immunoglobulin superfamily homophilic adhesion. J Biol Chem (2008) 1.38

A yeast two-hybrid technology-based system for the discovery of PPARgamma agonist and antagonist. Anal Biochem (2004) 1.29

Cancer stem-like cells can be isolated with drug selection in human ovarian cancer cell line SKOV3. Acta Biochim Biophys Sin (Shanghai) (2010) 1.29

Conformational transition of amyloid beta-peptide. Proc Natl Acad Sci U S A (2005) 1.28

Structure-based discovery of inhibitors of the YycG histidine kinase: new chemical leads to combat Staphylococcus epidermidis infections. BMC Microbiol (2006) 1.27

[6]-Gingerol suppresses colon cancer growth by targeting leukotriene A4 hydrolase. Cancer Res (2009) 1.26

Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation. Protein Sci (2006) 1.25

Virtual screening on natural products for discovering active compounds and target information. Curr Med Chem (2003) 1.25

Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition. PLoS Pathog (2011) 1.25

High efficiency of reprogramming CD34⁺ cells derived from human amniotic fluid into induced pluripotent stem cells with Oct4. Stem Cells Dev (2012) 1.24

CD44+/CD105+ human amniotic fluid mesenchymal stem cells survive and proliferate in the ovary long-term in a mouse model of chemotherapy-induced premature ovarian failure. Int J Med Sci (2012) 1.20

Protein cysteine phosphorylation of SarA/MgrA family transcriptional regulators mediates bacterial virulence and antibiotic resistance. Proc Natl Acad Sci U S A (2012) 1.18

Inherent dynamics of the acid-sensing ion channel 1 correlates with the gating mechanism. PLoS Biol (2009) 1.17

Enterovirus 71 and coxsackievirus A16 3C proteases: binding to rupintrivir and their substrates and anti-hand, foot, and mouth disease virus drug design. J Virol (2011) 1.16

Human amniotic epithelial cell feeder layers maintain human iPS cell pluripotency via inhibited endogenous microRNA-145 and increased Sox2 expression. Exp Cell Res (2011) 1.15

Cinanserin is an inhibitor of the 3C-like proteinase of severe acute respiratory syndrome coronavirus and strongly reduces virus replication in vitro. J Virol (2005) 1.15

Reduced anxiety and depression-like behaviors in mice lacking GABA transporter subtype 1. Neuropsychopharmacology (2006) 1.14

Quorum-sensing agr mediates bacterial oxidation response via an intramolecular disulfide redox switch in the response regulator AgrA. Proc Natl Acad Sci U S A (2012) 1.11

Structural basis for catalytic and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ). J Biol Chem (2007) 1.11

Arctigenin effectively ameliorates memory impairment in Alzheimer's disease model mice targeting both β-amyloid production and clearance. J Neurosci (2013) 1.10

pH-dependent conformational flexibility of the SARS-CoV main proteinase (M(pro)) dimer: molecular dynamics simulations and multiple X-ray structure analyses. J Mol Biol (2005) 1.09

Radioiodine therapy of hepatoma using targeted transfer of the human sodium/iodide symporter gene. J Nucl Med (2006) 1.09

Structural and functional characterization of Falcipain-2, a hemoglobinase from the malarial parasite Plasmodium falciparum. J Biol Chem (2006) 1.09

Conformational dynamics of the nicotinic acetylcholine receptor channel: a 35-ns molecular dynamics simulation study. J Am Chem Soc (2005) 1.07

Progress in clinical, pharmacological, chemical and structural biological studies of huperzine A: a drug of traditional chinese medicine origin for the treatment of Alzheimer's disease. Curr Med Chem (2003) 1.07

AL3810, a multi-tyrosine kinase inhibitor, exhibits potent anti-angiogenic and anti-tumour activity via targeting VEGFR, FGFR and PDGFR. J Cell Mol Med (2012) 1.06

Ligand-binding regulation of LXR/RXR and LXR/PPAR heterodimerizations: SPR technology-based kinetic analysis correlated with molecular dynamics simulation. Protein Sci (2005) 1.06

Human amniotic epithelial cells ameliorate behavioral dysfunction and reduce infarct size in the rat middle cerebral artery occlusion model. Shock (2008) 1.05

Induced-fit or preexisting equilibrium dynamics? Lessons from protein crystallography and MD simulations on acetylcholinesterase and implications for structure-based drug design. Protein Sci (2008) 1.05

Mechanics of channel gating of the nicotinic acetylcholine receptor. PLoS Comput Biol (2008) 1.05

Malonyl-CoA: acyl carrier protein transacylase from Helicobacter pylori: Crystal structure and its interaction with acyl carrier protein. Protein Sci (2007) 1.04

Computational drug discovery. Acta Pharmacol Sin (2012) 1.04

Transcriptional regulation of BRD7 expression by Sp1 and c-Myc. BMC Mol Biol (2008) 1.04

Nucleocapsid protein of SARS coronavirus tightly binds to human cyclophilin A. Biochem Biophys Res Commun (2004) 1.03

Extensive crosstalk between O-GlcNAcylation and phosphorylation regulates Akt signaling. PLoS One (2012) 1.03

Site of metabolism prediction for six biotransformations mediated by cytochromes P450. Bioinformatics (2009) 1.03

Brownian dynamics simulations of the recognition of the scorpion toxin P05 with the small-conductance calcium-activated potassium channels. J Mol Biol (2002) 1.02

Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis. Protein Sci (2008) 1.02

Effect of chronic sleep restriction on sleepiness and working memory in adolescents and young adults. J Clin Exp Neuropsychol (2011) 1.02

Detailed mechanism for AmtB conducting NH4+/NH3: molecular dynamics simulations. Biophys J (2006) 1.02

Mutation of Gly-11 on the dimer interface results in the complete crystallographic dimer dissociation of severe acute respiratory syndrome coronavirus 3C-like protease: crystal structure with molecular dynamics simulations. J Biol Chem (2007) 1.01

Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding. Sci Rep (2013) 1.01

Gene expression module-based chemical function similarity search. Nucleic Acids Res (2008) 1.01

Discovering potent small molecule inhibitors of cyclophilin A using de novo drug design approach. J Med Chem (2009) 1.01

Brownian dynamics simulations of the recognition of the scorpion toxin maurotoxin with the voltage-gated potassium ion channels. Biophys J (2002) 1.00

GAsDock: a new approach for rapid flexible docking based on an improved multi-population genetic algorithm. Bioorg Med Chem Lett (2004) 1.00

Treatment of intracerebral haemorrhage in rats with intraventricular transplantation of human amniotic epithelial cells. Cell Biol Int (2010) 1.00

The gating charge pathway of an epilepsy-associated potassium channel accommodates chemical ligands. Cell Res (2013) 1.00

PDE5 inhibitor promotes melanin synthesis through the PKG pathway in B16 melanoma cells. J Cell Biochem (2012) 1.00

Analysis of gene expression identifies candidate molecular markers in nasopharyngeal carcinoma using microdissection and cDNA microarray. J Cancer Res Clin Oncol (2006) 0.99

ChemMapper: a versatile web server for exploring pharmacology and chemical structure association based on molecular 3D similarity method. Bioinformatics (2013) 0.99

Chimmitecan, a novel 9-substituted camptothecin, with improved anticancer pharmacologic profiles in vitro and in vivo. Clin Cancer Res (2007) 0.99

Computational simulations of interactions of scorpion toxins with the voltage-gated potassium ion channel. Biophys J (2004) 0.98

Characterization of primary ovarian cancer cells in different culture systems. Oncol Rep (2010) 0.98

Human amnion epithelial cells can be induced to differentiate into functional insulin-producing cells. Acta Biochim Biophys Sin (Shanghai) (2008) 0.98

Biochemical characterization and inhibitor discovery of shikimate dehydrogenase from Helicobacter pylori. FEBS J (2006) 0.98

Severe acute respiratory syndrome coronavirus 3C-like proteinase N terminus is indispensable for proteolytic activity but not for enzyme dimerization. Biochemical and thermodynamic investigation in conjunction with molecular dynamics simulations. J Biol Chem (2004) 0.97

Steered molecular dynamics simulation on the binding of NNRTI to HIV-1 RT. Biophys J (2003) 0.97

Danshen extract 15,16-dihydrotanshinone I functions as a potential modulator against metabolic syndrome through multi-target pathways. J Steroid Biochem Mol Biol (2010) 0.97

Molecular dynamics simulations on SDF-1alpha: binding with CXCR4 receptor. Biophys J (2003) 0.97

Conformational transition pathway in the allosteric process of human glucokinase. Proc Natl Acad Sci U S A (2006) 0.97

How does huperzine A enter and leave the binding gorge of acetylcholinesterase? Steered molecular dynamics simulations. J Am Chem Soc (2003) 0.96

Flexibility of aromatic residues in the active-site gorge of acetylcholinesterase: X-ray versus molecular dynamics. Biophys J (2008) 0.95

Low microRNA-199a expression in human amniotic epithelial cell feeder layers maintains human-induced pluripotent stem cell pluripotency via increased leukemia inhibitory factor expression. Acta Biochim Biophys Sin (Shanghai) (2012) 0.95

Two adjacent mutations on the dimer interface of SARS coronavirus 3C-like protease cause different conformational changes in crystal structure. Virology (2009) 0.95

Effect of ischemic postconditioning in adult valve replacement. Eur J Cardiothorac Surg (2007) 0.95

Inhibition of GPR40 protects MIN6 β cells from palmitate-induced ER stress and apoptosis. J Cell Biochem (2012) 0.95

Indole derivatives as potent inhibitors of 5-lipoxygenase: design, synthesis, biological evaluation, and molecular modeling. Bioorg Med Chem Lett (2007) 0.95