PubRank

Iwan J P de Esch

Author PubWeight™ 67.47‹?›

Top papers

Rank Title Journal Year PubWeight™‹?›
1 The histamine H3 receptor: from gene cloning to H3 receptor drugs. Nat Rev Drug Discov 2005 1.67
2 Diazepam-bound GABAA receptor models identify new benzodiazepine binding-site ligands. Nat Chem Biol 2012 1.31
3 Crystal structure-based virtual screening for fragment-like ligands of the human histamine H(1) receptor. J Med Chem 2011 1.30
4 Pentameric ligand-gated ion channel ELIC is activated by GABA and modulated by benzodiazepines. Proc Natl Acad Sci U S A 2012 1.22
5 Fragment based design of new H4 receptor-ligands with anti-inflammatory properties in vivo. J Med Chem 2008 1.20
6 Keynote review: histamine H3 receptor antagonists reach out for the clinic. Drug Discov Today 2005 1.19
7 Chemical insights in the concept of hybrid drugs: the antitumor effect of nitric oxide-donating aspirin involves a quinone methide but not nitric oxide nor aspirin. J Med Chem 2007 1.18
8 Towards small-molecule CXCR3 ligands with clinical potential. ChemMedChem 2008 1.11
9 Use of acetylcholine binding protein in the search for novel alpha7 nicotinic receptor ligands. In silico docking, pharmacological screening, and X-ray analysis. J Med Chem 2009 1.11
10 Transforming fragments into candidates: small becomes big in medicinal chemistry. Drug Discov Today 2009 1.09
11 Molecular and biochemical pharmacology of the histamine H4 receptor. Br J Pharmacol 2009 1.06
12 Antiinflammatory and antinociceptive effects of the selective histamine H4-receptor antagonists JNJ7777120 and VUF6002 in a rat model of carrageenan-induced acute inflammation. Eur J Pharmacol 2007 1.04
13 CC12, a high-affinity ligand for [3H]cimetidine binding, is an improgan antagonist. Neuropharmacology 2007 1.02
14 Fragment growing induces conformational changes in acetylcholine-binding protein: a structural and thermodynamic analysis. J Am Chem Soc 2011 1.00
15 Catechol pyrazolinones as trypanocidals: fragment-based design, synthesis, and pharmacological evaluation of nanomolar inhibitors of trypanosomal phosphodiesterase B1. J Med Chem 2012 0.99
16 Noncompetitive antagonism and inverse agonism as mechanism of action of nonpeptidergic antagonists at primate and rodent CXCR3 chemokine receptors. J Pharmacol Exp Ther 2008 0.99
17 Discovery of quinazolines as histamine H4 receptor inverse agonists using a scaffold hopping approach. J Med Chem 2008 0.98
18 Sex- and histamine-dependent long-term cognitive effects of methamphetamine exposure. Neuropsychopharmacology 2006 0.96
19 Synthesis and structure-activity relationship of the first nonpeptidergic inverse agonists for the human cytomegalovirus encoded chemokine receptor US28. J Med Chem 2005 0.96
20 Online fluorescence enhancement assay for the acetylcholine binding protein with parallel mass spectrometric identification. J Med Chem 2010 0.96
21 Antinociceptive activity of chemical congeners of improgan: optimization of side chain length leads to the discovery of a new, potent, non-opioid analgesic. Neuropharmacology 2006 0.96
22 Molecular determinants of ligand binding to H4R species variants. Mol Pharmacol 2010 0.93
23 Phenylalanine 169 in the second extracellular loop of the human histamine H4 receptor is responsible for the difference in agonist binding between human and mouse H4 receptors. J Pharmacol Exp Ther 2008 0.92
24 Surface plasmon resonance biosensor based fragment screening using acetylcholine binding protein identifies ligand efficiency hot spots (LE hot spots) by deconstruction of nicotinic acetylcholine receptor α7 ligands. J Med Chem 2010 0.91
25 Discovery of novel Trypanosoma brucei phosphodiesterase B1 inhibitors by virtual screening against the unliganded TbrPDEB1 crystal structure. J Med Chem 2013 0.91
26 Identification of a novel scaffold for allosteric inhibition of wild type and drug resistant HIV-1 reverse transcriptase by fragment library screening. J Med Chem 2011 0.89
27 Discovery of S-(2-guanidylethyl)-isothiourea (VUF 8430) as a potent nonimidazole histamine H4 receptor agonist. J Med Chem 2006 0.88
28 Development of a selective ESI-MS derivatization reagent: synthesis and optimization for the analysis of aldehydes in biological mixtures. Anal Chem 2008 0.88
29 KLIFS: a knowledge-based structural database to navigate kinase-ligand interaction space. J Med Chem 2013 0.88
30 Acetylcholine binding protein (AChBP) as template for hierarchical in silico screening procedures to identify structurally novel ligands for the nicotinic receptors. Bioorg Med Chem 2011 0.87
31 Pharmacological characterization of the new histamine H4 receptor agonist VUF 8430. Br J Pharmacol 2009 0.87
32 Fragment library screening reveals remarkable similarities between the G protein-coupled receptor histamine H₄ and the ion channel serotonin 5-HT₃A. Bioorg Med Chem Lett 2011 0.86
33 From heptahelical bundle to hits from the Haystack: structure-based virtual screening for GPCR ligands. Methods Enzymol 2013 0.86
34 Design, synthesis, and structure-activity relationships of highly potent 5-HT₃ receptor ligands. J Med Chem 2012 0.85
35 Major advances in the development of histamine H4 receptor ligands. Drug Discov Today 2009 0.85
36 Delineation of agonist binding to the human histamine H4 receptor using mutational analysis, homology modeling, and ab initio calculations. J Chem Inf Model 2008 0.85
37 Identification of overlapping but differential binding sites for the high-affinity CXCR3 antagonists NBI-74330 and VUF11211. Mol Pharmacol 2013 0.85
38 En route to new blockbuster anti-histamines: surveying the offspring of the expanding histamine receptor family. Trends Pharmacol Sci 2011 0.85
39 Synthesis and pharmacological characterization of novel inverse agonists acting on the viral-encoded chemokine receptor US28. Bioorg Med Chem 2006 0.85
40 Virtual fragment screening: discovery of histamine H3 receptor ligands using ligand-based and protein-based molecular fingerprints. J Chem Inf Model 2012 0.84
41 N-substituted piperidinyl alkyl imidazoles: discovery of methimepip as a potent and selective histamine H3 receptor agonist. J Med Chem 2005 0.84
42 Fragment based lead discovery of small molecule inhibitors for the EPHA4 receptor tyrosine kinase. Eur J Med Chem 2011 0.84
43 Assembly of a π-π stack of ligands in the binding site of an acetylcholine-binding protein. Nat Commun 2013 0.84
44 Characterization of the histamine H4 receptor binding site. Part 1. Synthesis and pharmacological evaluation of dibenzodiazepine derivatives. J Med Chem 2006 0.84
45 Synthesis, modeling and functional activity of substituted styrene-amides as small-molecule CXCR7 agonists. Eur J Med Chem 2012 0.83
46 Several down, a few to go: histamine H3 receptor ligands making the final push towards the market? Expert Opin Investig Drugs 2011 0.82
47 Development of a microfluidic confocal fluorescence detection system for the hyphenation of nano-LC to on-line biochemical assays. Anal Bioanal Chem 2010 0.82
48 Interaction kinetic and structural dynamic analysis of ligand binding to acetylcholine-binding protein. Biochemistry 2010 0.82
49 Small and colorful stones make beautiful mosaics: fragment-based chemogenomics. Drug Discov Today 2012 0.82
50 A new generation of anti-histamines: Histamine H4 receptor antagonists on their way to the clinic. Curr Opin Drug Discov Devel 2009 0.82
51 Targeted LC-MS derivatization for aldehydes and carboxylic acids with a new derivatization agent 4-APEBA. Anal Bioanal Chem 2010 0.81
52 Molecular determinants of ligand binding modes in the histamine H(4) receptor: linking ligand-based three-dimensional quantitative structure-activity relationship (3D-QSAR) models to in silico guided receptor mutagenesis studies. J Med Chem 2011 0.81
53 CXCR3 antagonists: quaternary ammonium salts equipped with biphenyl- and polycycloaliphatic-anchors. Bioorg Med Chem 2011 0.81
54 Crystal structure of the EphA4 protein tyrosine kinase domain in the apo- and dasatinib-bound state. FEBS Lett 2011 0.81
55 From three-dimensional GPCR structure to rational ligand discovery. Adv Exp Med Biol 2014 0.80
56 QUASI: a novel method for simultaneous superposition of multiple flexible ligands and virtual screening using partial similarity. J Chem Inf Model 2007 0.80
57 Identification of novel α7 nicotinic receptor ligands by in silico screening against the crystal structure of a chimeric α7 receptor ligand binding domain. Bioorg Med Chem 2012 0.80
58 Synthesis and QSAR of quinazoline sulfonamides as highly potent human histamine H4 receptor inverse agonists. J Med Chem 2010 0.79
59 Structure-based design, synthesis and structure-activity relationships of dibenzosuberyl- and benzoate-substituted tropines as ligands for acetylcholine-binding protein. Bioorg Med Chem Lett 2011 0.79
60 Ligand based design of novel histamine H₄ receptor antagonists; fragment optimization and analysis of binding kinetics. Bioorg Med Chem Lett 2011 0.79
61 A prospective cross-screening study on G-protein-coupled receptors: lessons learned in virtual compound library design. J Med Chem 2012 0.79
62 Inhibition of brain [(3)H]cimetidine binding by improgan-like antinociceptive drugs. Eur J Pharmacol 2010 0.78
63 Development of surface plasmon resonance biosensor assays for primary and secondary screening of acetylcholine binding protein ligands. Anal Biochem 2010 0.78
64 Bispyrimidines as potent histamine H(4) receptor ligands: delineation of structure-activity relationships and detailed H(4) receptor binding mode. J Med Chem 2013 0.78
65 Structure-activity relationships of quinoxaline-based 5-HT3A and 5-HT3AB receptor-selective ligands. ChemMedChem 2013 0.78
66 Combining quantum mechanical ligand conformation analysis and protein modeling to elucidate GPCR-ligand binding modes. ChemMedChem 2012 0.77
67 Identification of novel allosteric nonpeptidergic inhibitors of the human cytomegalovirus-encoded chemokine receptor US28. Bioorg Med Chem 2009 0.77
68 Triazole ligands reveal distinct molecular features that induce histamine H4 receptor affinity and subtly govern H4/H3 subtype selectivity. J Med Chem 2011 0.77
69 Molecular determinants of selective agonist and antagonist binding to the histamine H₄ receptor. Curr Top Med Chem 2011 0.77
70 Clobenpropit analogs as dual activity ligands for the histamine H3 and H4 receptors: synthesis, pharmacological evaluation, and cross-target QSAR studies. Bioorg Med Chem 2009 0.76
71 Selective histamine H₃ and H₄ receptor agonists exert opposite effects against the gastric lesions induced by HCl in the rat stomach. Eur J Pharmacol 2011 0.76
72 A novel series of histamine H4 receptor antagonists based on the pyrido[3,2-d]pyrimidine scaffold: comparison of hERG binding and target residence time with PF-3893787. Bioorg Med Chem Lett 2013 0.76
73 Detailed structure-activity relationship of indolecarboxamides as H4 receptor ligands. Eur J Med Chem 2012 0.76
74 4-benzyl-1H-imidazoles with oxazoline termini as histamine H3 receptor agonists. J Med Chem 2008 0.76
75 Chemical subtleties in small-molecule modulation of peptide receptor function: the case of CXCR3 biaryl-type ligands. J Med Chem 2012 0.75
76 Exploring a pocket for polycycloaliphatic groups in the CXCR3 receptor with the aid of a modular synthetic strategy. Bioorg Med Chem Lett 2009 0.75
77 Regiochemistry of the condensation of 2-aroyl-cyclohexanones and 2-cyanoacetamide: 13C-labeling studies and semiempirical MO calculations. J Org Chem 2012 0.75
78 Nanofractionation spotter technology for rapid contactless and high-resolution deposition of LC eluent for further off-line analysis. Anal Chem 2010 0.75
79 The role and application of in silico docking in chemical genomics research. Methods Mol Biol 2005 0.75