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Detailed structure–activity relationship of indolecarboxamides as H4 receptor ligands

European journal of medicinal chemistry, 2012-08, Vol.54, p.660-668

2012

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Predicting Ligand Interactions with ABC Transporters in ADME

Chemistry & biodiversity, 2009-11, Vol.6 (11), p.1960-1969

2009

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Combining Quantum Mechanical Ligand Conformation Analysis and Protein Modeling to Elucidate GPCR-Ligand Binding Modes

ChemMedChem, 2013-01, Vol.8 (1), p.49-53

2013

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GRID/CPCA: A New Computational Tool To Design Selective Ligands

Journal of medicinal chemistry, 2000-08, Vol.43 (16), p.3033-3044

2000

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Clobenpropit analogs as dual activity ligands for the histamine H3 and H4 receptors: Synthesis, pharmacological evaluation, and cross-target QSAR studies

Bioorganic & medicinal chemistry, 2009-06, Vol.17 (11), p.3987-3994

2009

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In silico prediction of substrate properties for ABC-multidrug transporters

Expert opinion on drug metabolism & toxicology, 2008-09, Vol.4 (9), p.1167-1180

2008

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A medicinal chemistry perspective on melting point: matched molecular pair analysis of the effects of simple descriptors on the melting point of drug-like compounds

MedChemComm, 2012-05, Vol.3 (5), p.584

2012

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Combinatorial Consensus Scoring for Ligand-Based Virtual Fragment Screening: A Comparative Case Study for Serotonin 5‑HT3A, Histamine H1, and Histamine H4 Receptors

Journal of chemical information and modeling, 2015-05

2015

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Heterocyclic thrombin inhibitors. Part 1: design and synthesis of amidino-phenoxy quinoline derivatives

Bioorganic & medicinal chemistry letters, 2003-07, Vol.13 (14), p.2291-2295

2003

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Bispyrimidines as Potent Histamine H4 Receptor Ligands: Delineation of Structure–Activity Relationships and Detailed H4 Receptor Binding Mode

Journal of medicinal chemistry, 2013-06, Vol.56 (11), p.4264-4276

2013

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Combinatorial Consensus Scoring for Ligand-Based Virtual Fragment Screening: A Comparative Case Study for Serotonin 5-HT 3 A, Histamine H 1 , and Histamine H 4 Receptors

Journal of chemical information and modeling, 2015-05, Vol.55 (5), p.1030-1044

2015

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Bispyrimidines as Potent Histamine H 4 Receptor Ligands: Delineation of Structure–Activity Relationships and Detailed H 4 Receptor Binding Mode

Journal of medicinal chemistry, 2013-06, Vol.56 (11), p.4264-4276

2013

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Mapping histamine H 4 receptor–ligand binding modes

MedChemComm, 2013, Vol.4 (1), p.193-204

2013

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Clobenpropit analogs as dual activity ligands for the histamine H 3 and H 4 receptors: Synthesis, pharmacological evaluation, and cross-target QSAR studies

Bioorganic & medicinal chemistry, 2009-06, Vol.17 (11), p.3987-3994

2009

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Combinatorial Consensus Scoring for Ligand-Based Virtual Fragment Screening: A Comparative Case Study for Serotonin 5-HT^sub 3^A, Histamine H^sub 1^, and Histamine H^sub 4^ Receptors

Journal of chemical information and modeling, 2015-05, Vol.55 (5), p.1030

2015

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Combinatorial Consensus Scoring for Ligand-Based Virtual Fragment Screening: A Comparative Case Study for Serotonin 5-HT(3)A, Histamine H(1), and Histamine H(4) Receptors

Journal of chemical information and modeling, 2015-05, Vol.55 (5), p.1030-1044

2015

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Mapping histamine H4 receptor-ligand binding modesElectronic supplementary information (ESI) available: Additional analyses of molecular dynamics simulations, purity of compounds by LC-MS and NMR, and comparison of ADRB2 vs. H1R crystal structure based H4R homology models. See DOI: 10.1039/c2md20212c

2012-12

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A medicinal chemistry perspective on melting point: matched molecular pair analysis of the effects of simple descriptors on the melting point of drug-like compoundsElectronic supplementary information (ESI) available: Table S1 shows the effect of the increase of different descriptors on the Tm without the number of each halogen atom type as constraint. Fig. S1 shows the box plots and strip plots of the respective data of Table S1. Table S2 shows the effect of the increase of different descriptor

2012-05

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Bispyrimidines as potent histamine H(4) receptor ligands: delineation of structure-activity relationships and detailed H(4) receptor binding mode

Journal of medicinal chemistry, 2013-06, Vol.56 (11), p.4264-4276

2013

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Clobenpropit analogs as dual activity ligands for the histamine H sub(3 and H) sub(4) receptors: Synthesis, pharmacological evaluation, and cross-target QSAR studies

Bioorganic & medicinal chemistry, 2009-06, Vol.17 (11), p.3987-3994

2009

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Serine and threonine residues bend (alpha)-helices in the (chi1)=g(-) conformation

Biophysical journal, 2000-11, Vol.79 (5), p.2754

2000

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ChemInform Abstract: Predicting Ligand Interactions with ABC Transporters in ADME

ChemInform, 2010-02, Vol.41 (8), p.no-no

2010

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Heterocyclic Thrombin Inhibitors. Part 1. Design and Synthesis of Amidino-Phenoxy Quinoline Derivatives

ChemInform, 2003-10, Vol.34 (41), p.no-no

2003

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An Interaction Model for Tiotidine and Analogues with the Histamine H2-Receptor

Quantitative structure-activity relationships, 1992, Vol.11 (2), p.142-150

1992

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Quantum Chemical Studies of H 2 ‐Antagonist‐Receptor Complexes. Cimetidine and Related Compounds

Quantitative structure-activity relationships, 1988-03, Vol.7 (1), p.7-12

1988

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Detailed structure–activity relationship of indolecarboxamides as H4 receptor ligands

Predicting Ligand Interactions with ABC Transporters in ADME

Combining Quantum Mechanical Ligand Conformation Analysis and Protein Modeling to Elucidate GPCR-Ligand Binding Modes

GRID/CPCA: A New Computational Tool To Design Selective Ligands

Clobenpropit analogs as dual activity ligands for the histamine H3 and H4 receptors: Synthesis, pharmacological evaluation, and cross-target QSAR studies

In silico prediction of substrate properties for ABC-multidrug transporters

A medicinal chemistry perspective on melting point: matched molecular pair analysis of the effects of simple descriptors on the melting point of drug-like compounds

Combinatorial Consensus Scoring for Ligand-Based Virtual Fragment Screening: A Comparative Case Study for Serotonin 5‑HT3A, Histamine H1, and Histamine H4 Receptors

Heterocyclic thrombin inhibitors. Part 1: design and synthesis of amidino-phenoxy quinoline derivatives

Bispyrimidines as Potent Histamine H4 Receptor Ligands: Delineation of Structure–Activity Relationships and Detailed H4 Receptor Binding Mode

Combinatorial Consensus Scoring for Ligand-Based Virtual Fragment Screening: A Comparative Case Study for Serotonin 5-HT 3 A, Histamine H 1 , and Histamine H 4 Receptors

Bispyrimidines as Potent Histamine H 4 Receptor Ligands: Delineation of Structure–Activity Relationships and Detailed H 4 Receptor Binding Mode

Mapping histamine H 4 receptor–ligand binding modes

Clobenpropit analogs as dual activity ligands for the histamine H 3 and H 4 receptors: Synthesis, pharmacological evaluation, and cross-target QSAR studies

Combinatorial Consensus Scoring for Ligand-Based Virtual Fragment Screening: A Comparative Case Study for Serotonin 5-HT^sub 3^A, Histamine H^sub 1^, and Histamine H^sub 4^ Receptors

Combinatorial Consensus Scoring for Ligand-Based Virtual Fragment Screening: A Comparative Case Study for Serotonin 5-HT(3)A, Histamine H(1), and Histamine H(4) Receptors

Bispyrimidines as potent histamine H(4) receptor ligands: delineation of structure-activity relationships and detailed H(4) receptor binding mode

Clobenpropit analogs as dual activity ligands for the histamine H sub(3 and H) sub(4) receptors: Synthesis, pharmacological evaluation, and cross-target QSAR studies

Serine and threonine residues bend (alpha)-helices in the (chi1)=g(-) conformation

ChemInform Abstract: Predicting Ligand Interactions with ABC Transporters in ADME

Heterocyclic Thrombin Inhibitors. Part 1. Design and Synthesis of Amidino-Phenoxy Quinoline Derivatives

An Interaction Model for Tiotidine and Analogues with the Histamine H2-Receptor

Quantum Chemical Studies of H 2 ‐Antagonist‐Receptor Complexes. Cimetidine and Related Compounds

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