Published in Bioorg Med Chem on March 27, 2010
Target deconvolution techniques in modern phenotypic profiling. Curr Opin Chem Biol (2013) 1.08
Combination of biological screening in a cellular model of viral latency and virtual screening identifies novel compounds that reactivate HIV-1. J Virol (2012) 0.95
Prediction of the P. falciparum target space relevant to malaria drug discovery. PLoS Comput Biol (2013) 0.87
Chemically Advanced Template Search (CATS) for Scaffold-Hopping and Prospective Target Prediction for 'Orphan' Molecules. Mol Inform (2013) 0.86
A chemocentric approach to the identification of cancer targets. PLoS One (2012) 0.81
Synthesis, pharmacological evaluation and molecular docking of pyranopyrazole-linked 1,4-dihydropyridines as potent positive inotropes. Mol Divers (2017) 0.75
Data completeness--the Achilles heel of drug-target networks. Nat Biotechnol (2008) 2.18
Association of community-acquired pneumonia with antipsychotic drug use in elderly patients: a nested case-control study. Ann Intern Med (2010) 1.91
The topology of drug-target interaction networks: implicit dependence on drug properties and target families. Mol Biosyst (2009) 1.85
Indexing molecules with chemical graph identifiers. J Comput Chem (2011) 1.42
Sympatry inference and network analysis in biogeography. Syst Biol (2008) 1.38
Identification of novel species-selective agonists of the G-protein-coupled receptor GPR35 that promote recruitment of β-arrestin-2 and activate Gα13. Biochem J (2010) 1.22
A C-terminal mutation of ATP1A3 underscores the crucial role of sodium affinity in the pathophysiology of rapid-onset dystonia-parkinsonism. Hum Mol Genet (2009) 1.18
Synthesis of pyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidine derivatives for antiviral evaluation. Arch Pharm (Weinheim) (2007) 1.10
Efficient synthesis of 3H-imidazo[4,5-b]pyridines from malononitrile and 5-amino-4-(cyanoformimidoyl)imidazoles. J Org Chem (2003) 1.07
Identification of pim kinases as novel targets for PJ34 with confounding effects in PARP biology. ACS Chem Biol (2012) 1.07
Scientific competency questions as the basis for semantically enriched open pharmacological space development. Drug Discov Today (2013) 1.04
Superior anticancer activity of halogenated chalcones and flavonols over the natural flavonol quercetin. Eur J Med Chem (2013) 1.03
A ligand-based approach to mining the chemogenomic space of drugs. Comb Chem High Throughput Screen (2008) 0.99
A chemogenomic approach to drug discovery: focus on cardiovascular diseases. Drug Discov Today (2009) 0.99
Guided docking approaches to structure-based design and screening. Curr Top Med Chem (2004) 0.98
Anticipating drug side effects by comparative pharmacology. Expert Opin Drug Metab Toxicol (2010) 0.98
A detailed proteomic analysis of rhodocytin-activated platelets reveals novel clues on the CLEC-2 signalosome: implications for CLEC-2 signaling regulation. Blood (2012) 0.98
Molecular dynamics simulations reveal insights into key structural elements of adenosine receptors. Biochemistry (2011) 0.96
Automatic filtering and substantiation of drug safety signals. PLoS Comput Biol (2012) 0.96
Combination of biological screening in a cellular model of viral latency and virtual screening identifies novel compounds that reactivate HIV-1. J Virol (2012) 0.95
The EU-ADR Web Platform: delivering advanced pharmacovigilance tools. Pharmacoepidemiol Drug Saf (2012) 0.95
Chemical and biological profiling of an annotated compound library directed to the nuclear receptor family. Curr Top Med Chem (2005) 0.94
iPHACE: integrative navigation in pharmacological space. Bioinformatics (2010) 0.93
SHED: Shannon entropy descriptors from topological feature distributions. J Chem Inf Model (2006) 0.92
Conciliating binding efficiency and polypharmacology. Trends Pharmacol Sci (2009) 0.91
Coverage and bias in chemical library design. Curr Opin Chem Biol (2008) 0.91
PharmaTrek: A Semantic Web Explorer for Open Innovation in Multitarget Drug Discovery. Mol Inform (2012) 0.89
Chemical probes for biological systems. Drug Discov Today (2010) 0.89
Cardiac autonomic adaptations in elite Spanish soccer players during preseason. Int J Sports Physiol Perform (2012) 0.89
Drug-induced acute myocardial infarction: identifying 'prime suspects' from electronic healthcare records-based surveillance system. PLoS One (2013) 0.88
Recombinant plasmepsin 1 from the human malaria parasite plasmodium falciparum: enzymatic characterization, active site inhibitor design, and structural analysis. Biochemistry (2009) 0.88
Ligand-based approach to in silico pharmacology: nuclear receptor profiling. J Chem Inf Model (2006) 0.87
Prediction of the P. falciparum target space relevant to malaria drug discovery. PLoS Comput Biol (2013) 0.87
Synthesis and binding affinity of new pyrazole and isoxazole derivatives as potential atypical antipsychotics. Bioorg Med Chem Lett (2007) 0.86
The influence of a congested calendar on physical performance in elite soccer. J Strength Cond Res (2011) 0.85
Anthropometric and physiological characteristics of young soccer players according to their playing positions: relevance for competition success. J Strength Cond Res (2011) 0.85
FCP: functional coverage of the proteome by structures. Bioinformatics (2006) 0.85
Linking off-target kinase pharmacology to the differential cellular effects observed among PARP inhibitors. Oncotarget (2014) 0.85
Macrocyclic inhibitors of the malarial aspartic proteases plasmepsin I, II, and IV. Bioorg Med Chem (2005) 0.85
Crystal structure of thioflavin-T and its binding to amyloid fibrils: insights at the molecular level. Chem Commun (Camb) (2010) 0.85
Certification of occupational diseases as common diseases in a primary health care setting. Am J Ind Med (2005) 0.85
Ligand-based approaches to in silico pharmacology. Methods Mol Biol (2011) 0.85
Fragment-based discovery of 6-substituted isoquinolin-1-amine based ROCK-I inhibitors. Bioorg Med Chem Lett (2010) 0.84
Controlled functionalization of carbon nanotubes by a solvent-free multicomponent approach. ACS Nano (2010) 0.84
Distant polypharmacology among MLP chemical probes. ACS Chem Biol (2014) 0.84
Unzipping of functionalized multiwall carbon nanotubes induced by STM. Nano Lett (2010) 0.84
Cross-pharmacology analysis of G protein-coupled receptors. Curr Top Med Chem (2011) 0.83
Applied information retrieval and multidisciplinary research: new mechanistic hypotheses in complex regional pain syndrome. J Biomed Discov Collab (2007) 0.83
Efficient synthesis of 4,4'-bi-1H-imidazol-2-ones from 5-amino-alpha-imino-1H-imidazole-4-acetonitriles and isocyanates. J Org Chem (2002) 0.83
Design of a general-purpose European compound screening library for EU-OPENSCREEN. ChemMedChem (2014) 0.83
Multi-targeted activity of maslinic acid as an antimalarial natural compound. FEBS J (2011) 0.83
Myxobacteria: natural pharmaceutical factories. Microb Cell Fact (2012) 0.83
Neuroprotective efficacy of quinazoline type phosphodiesterase 7 inhibitors in cellular cultures and experimental stroke model. Eur J Med Chem (2011) 0.83
Emerging opportunities and concerns for drug discovery at serotonin 5-HT2B receptors. Curr Top Med Chem (2010) 0.83
Synthesis, binding affinity and SAR of new benzolactam derivatives as dopamine D3 receptor ligands. Bioorg Med Chem Lett (2009) 0.83
Unsupervised guided docking of covalently bound ligands. J Comput Aided Mol Des (2004) 0.82
On the generation of catalytic antibodies by transition state analogues. Chembiochem (2003) 0.82
Mutual induced fit in cyclodextrin-rocuronium complexes. Org Biomol Chem (2005) 0.82
Characterization of the homodimerization interface and functional hotspots of the CXCR4 chemokine receptor. Proteins (2012) 0.82
Pyrimidine derivatives as potent and selective A3 adenosine receptor antagonists. J Med Chem (2010) 0.81
A chemocentric approach to the identification of cancer targets. PLoS One (2012) 0.81
A common haplotype of DRD3 affected by recent positive selection is associated with protection from schizophrenia. Hum Genet (2008) 0.81
Identification of small molecule inhibitors of amyloid β-induced neuronal apoptosis acting through the imidazoline I(2) receptor. J Med Chem (2012) 0.80
Parallel regulation by olanzapine of the patterns of expression of 5-HT2A and D3 receptors in rat central nervous system and blood cells. Neuropharmacology (2006) 0.80
Ligand-, structure- and pharmacophore-based molecular fingerprints: a case study on adenosine A(1), A (2A), A (2B), and A (3) receptor antagonists. J Comput Aided Mol Des (2012) 0.80
Synthesis, 3D-QSAR, and structural modeling of benzolactam derivatives with binding affinity for the D(2) and D(3) receptors. ChemMedChem (2010) 0.79
Synthesis and binding affinity of new 1,4-disubstituted triazoles as potential dopamine D(3) receptor ligands. Bioorg Med Chem Lett (2013) 0.79
Phe369(7.38) at human 5-HT(7) receptors confers interspecies selectivity to antagonists and partial agonists. Br J Pharmacol (2009) 0.79
Use of alignment-free molecular descriptors in diversity analysis and optimal sampling of molecular libraries. Mol Divers (2003) 0.78
Synthesis, isomerization, and antimicrobial evaluation of some pyrazolopyranotriazolopyrimidine derivatives. Arch Pharm (Weinheim) (2007) 0.77
Computational prediction of structure-activity relationships for the binding of aminocyclitols to β-glucocerebrosidase. J Chem Inf Model (2011) 0.77
Rational design of a cyclin A fluorescent peptide sensor. Org Biomol Chem (2011) 0.77
1,3-dialkyl-8-N-substituted benzyloxycarbonylamino-9-deazaxanthines as potent adenosine receptor ligands: Design, synthesis, structure-affinity and structure-selectivity relationships. Bioorg Med Chem (2009) 0.77
A canonical cation-π interaction stabilizes the agonist conformation of estrogen-like nuclear receptors. Eur Biophys J (2010) 0.77
alpha-Substituted norstatines as the transition-state mimic in inhibitors of multiple digestive vacuole malaria aspartic proteases. Bioorg Med Chem (2009) 0.77
Computational approaches for ligand discovery and design in class-A G protein- coupled receptors. Curr Pharm Des (2013) 0.77
Inhibition of P-glycoprotein pumps by PEO-PPO amphiphiles: branched versus linear derivatives. Nanomedicine (Lond) (2010) 0.77
Mutagenesis of human neuropeptide Y/peptide YY receptor Y2 reveals additional differences to Y1 in interactions with highly conserved ligand positions. Regul Pept (2010) 0.76
Exploring the effect of PARP-1 flexibility in docking studies. J Mol Graph Model (2013) 0.76
Mutagenesis and computational modeling of human G-protein-coupled receptor Y2 for neuropeptide Y and peptide YY. Biochemistry (2013) 0.76
Identification of positions in the human neuropeptide Y/peptide YY receptor Y2 that contribute to pharmacological differences between receptor subtypes. Neuropeptides (2011) 0.76
Synthesis, binding affinity, and molecular docking analysis of new benzofuranone derivatives as potential antipsychotics. J Med Chem (2008) 0.76
A new chemical tool (C0036E08) supports the role of adenosine A(2B) receptors in mediating human mast cell activation. Biochem Pharmacol (2008) 0.76
A potential nanomedicine consisting of heparin-loaded polysaccharide nanocarriers for the treatment of asthma. Macromol Biosci (2011) 0.76
Towards a dynamic analysis of weighted networks in biogeography. Syst Biol (2011) 0.76
Docking and Linking of Fragments To Discover Jumonji Histone Demethylase Inhibitors. J Med Chem (2015) 0.76
Towards a MIP-based alignment and docking in computer-aided drug design. Proteins (2004) 0.75
Shaping the future of safer innovative drugs in Europe. Nat Biotechnol (2011) 0.75
Polypharmacology in Precision Oncology: Current Applications and Future Prospects. Curr Pharm Des (2016) 0.75
Synthesis and binding affinity of potential atypical antipsychotics with the tetrahydroquinazolinone motif. Bioorg Med Chem Lett (2009) 0.75
Chemoisosterism in the proteome. J Chem Inf Model (2013) 0.75
Free energy calculations of A(2A) adenosine receptor mutation effects on agonist binding. Chem Commun (Camb) (2015) 0.75
Exploring the active site of human factor Xa protein by NMR screening of small molecule probes. Org Biomol Chem (2003) 0.75
Aryl Sulfonamide Inhibitors of Insulin-Regulated Aminopeptidase Enhance Spine Density in Primary Hippocampal Neuron Cultures. ACS Chem Neurosci (2016) 0.75
Structure-based design of new KSP-Eg5 inhibitors assisted by a targeted multicomponent reaction. Chembiochem (2014) 0.75