J. Mason

发表

New 4-point pharmacophore method for molecular similarity and diversity applications: overview of the method and applications, including a novel approach to the design of combinatorial libraries containing privileged substructures.

J. Mason, I. Morize, P. Menard, 1999, Journal of medicinal chemistry.

Can we rationally design promiscuous drugs?

John P. Overington, A. Hopkins, J. Mason, 2006, Current opinion in structural biology.

Global mapping of pharmacological space

G. V. Paolini, Gaia V Paolini, Richard H B Shapland, 2006, Nature Biotechnology.

New perspectives in lead generation II: Evaluating molecular diversity

J. Mason, M. Ashton, M. Jaye, 1996 .

Library design using BCUT chemistry-space descriptors and multiple four-point pharmacophore fingerprints: simultaneous optimization and structure-based diversity.

J. Mason, B. Beno, 2000, Journal of molecular graphics & modelling.

Library design using BCUT chemistry-space descriptors and multiple four-point pharmacophore fingerprints: simultaneous optimization and structure-based diversity.

J. Mason, B. Beno, 2000, Journal of molecular graphics & modelling.

The design of combinatorial libraries using properties and 3D pharmacophore fingerprints.

J. Mason, B. Beno, 2001, Drug discovery today.

Diversity assessment.

J. Mason, M. Hermsmeier, 1999, Current opinion in chemical biology.

Analysis of tractable allosteric sites in G protein-coupled receptors

Amanda E. Wakefield, S. Vajda, J. Mason, 2019, Scientific Reports.

Unifying family A GPCR theories of activation.

Benjamin G Tehan, Andrea Bortolato, Jonathan S Mason, 2014, Pharmacology & therapeutics.

3-D pharmacophores in drug discovery.

A. Good, J. Mason, E. Martin, 2001, Current pharmaceutical design.

Structure-Based Optimization Strategies for G Protein-Coupled Receptor (GPCR) Allosteric Modulators: A Case Study from Analyses of New Metabotropic Glutamate Receptor 5 (mGlu5) X-ray Structures.

M. Congreve, J. Mason, A. Doré, 2018, Journal of medicinal chemistry.

Progress in Structure Based Drug Design for G Protein-Coupled Receptors

Jonathan S. Mason, Christopher J. Langmead, Miles Congreve, 2011, Journal of medicinal chemistry.

Impact of Recently Determined Crystallographic Structures of GPCRs on Drug Discovery

J. Mason, A. Bortolato, F. Deflorian, 2020 .

X‐Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A2A Adenosine Receptor Antagonists†

M. Congreve, J. Mason, J. Åqvist, 2020, Angewandte Chemie.

High-throughput and Virtual Screening: Core Lead Discovery Technologies Move Towards Integration

Andrew C. Good, Stanley R. Krystek, Jonathan S. Mason, 2000 .

Carbazole-containing arylcarboxamides as BACE1 inhibitors.

S. Moro, J. Mason, A. Bortolato, 2011, Bioorganic & medicinal chemistry letters.

Molecular Dynamics Applications to GPCR Ligand Design

S. Moro, J. Mason, A. Bortolato, 2018, Biomolecular Simulations in Structure-Based Drug Discovery.

Use of Biological Fingerprints Versus Structure/Chemotypes to Describe Molecules

J. Mason, 2010 .

Methodologies for the Examination of Water in GPCRs.

J. Mason, A. Bortolato, B. Tehan, 2018, Methods in molecular biology.

Identification of Ligand Binding Hot Spots of the Histamine H1 Receptor following Structure-Based Fragment Optimization.

I. D. de Esch, R. Leurs, J. Mason, 2016, Journal of medicinal chemistry.

X‐Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A2A Adenosine Receptor Antagonists†

M. Congreve, J. Mason, J. Åqvist, 2019, Angewandte Chemie.

4.01 – Introduction to the Volume and Overview of Computer-Assisted Drug Design in the Drug Discovery Process

J. Mason, 2007 .

Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.

M. Congreve, J. Mason, A. Doré, 2020 .

Absolute vs Relative Similarity and Diversity

J. Mason, 2002 .

Structure-based drug design of chromone antagonists of the adenosine A2A receptor

S. P. Andrews, M. Congreve, J. Mason, 2014 .

Intracellular allosteric antagonism of the CCR9 receptor

Ali Jazayeri, Jonathan S. Mason, Francesca Deflorian, 2016, Nature.

Quaternary substituted PDE IV inhibitors II: the synthesis and in vitro evaluation of a novel series of gamma-lactams.

J. Mason, C. Hulme, R. Labaudinière, 1998, Bioorganic & medicinal chemistry letters.

Structures of G protein-coupled receptors reveal new opportunities for drug discovery.

Jonathan S. Mason, J. Mason, F. Marshall, 2015, Drug discovery today.

New insights from structural biology into the druggability of G protein-coupled receptors.

Andrea Bortolato, Miles Congreve, Jonathan S Mason, 2012, Trends in pharmacological sciences.

Discovery of 1,2,4-Triazine Derivatives as Adenosine A2A Antagonists using Structure Based Drug Design

Jonathan S. Mason, Christopher J. Langmead, S. P. Andrews, 2012, Journal of medicinal chemistry.

Design and structure-activity relationships of potent and selective inhibitors of blood coagulation factor Xa.

D L Cheney, C. Dunwiddie, J. Mason, 1999, Journal of medicinal chemistry.

Syntheses and biological activities of potent potassium channel openers derived from (+/-)-2-oxo-1-pyridin-3-yl-cyclohexanecarbothioic acid methylamide: new potassium channel openers.

J. Mason, N. Vicker, T. Brown, 1993, Journal of medicinal chemistry.

Biophysical Mapping of the Adenosine A2A Receptor

Nathan Robertson, Jonathan S. Mason, S. P. Andrews, 2011, Journal of medicinal chemistry.

Use of Broad Biological Profiling as a Relevant Descriptor to Describe and Differentiate Compounds: Structure–In Vitro (Pharmacology–ADME)–In Vivo (Safety) Relationships

Jonathan S. Mason, Jacques Migeon, J. Mason, 2008 .

A Common Reference Framework for Analyzing/Comparing Proteins and Ligands. Fingerprints for Ligands And Proteins (FLAP): Theory and Application

Gabriele Cruciani, Jonathan S. Mason, Francesca Perruccio, 2007, J. Chem. Inf. Model..

Water Network Perturbation in Ligand Binding: Adenosine A2A Antagonists as a Case Study

Jonathan W. Essex, Michael S. Bodnarchuk, Jonathan S. Mason, 2013, J. Chem. Inf. Model..

Impact of protein–ligand solvation and desolvation on transition state thermodynamic properties of adenosine A2A ligand binding kinetics

Francesca Deflorian, Andrea Bortolato, Stephanie Federico, 2017, In Silico Pharmacology.

Article pubs.acs.org/jmc Identification of Novel Adenosine A 2A Receptor Antagonists by Virtual Screening

Nathan Robertson, Jonathan S. Mason, Christopher J. Langmead, 2022 .

The synthesis of (±)-10a-homo-11a-carbathromboxane A1, a stable thromboxane A analogue

J. Mason, M. Caton, M. Ansell, 1984 .

Chemistry Space Metrics in Diversity Analysis, Library Design, and Compound Selection

Jonathan S. Mason, Susanne Bauerschmidt, Paul R. Menard, 1998, J. Chem. Inf. Comput. Sci..

High-throughput and virtual screening: core lead discovery technologies move towards integration.

A. Good, J. Mason, S. Krystek, 2000, Drug discovery today.

Three‐Dimensional Structure Database Searches

Andrew C. Good, Jonathan S. Mason, A. Good, 2007 .

Experiences with searching for molecular similarity in conformationally flexible 3D databases

J. S. Mason, J. Mason, 1995 .

Structure of Class B GPCRs: new horizons for drug discovery

Benjamin G Tehan, Andrea Bortolato, Andrew S Doré, 2014, British journal of pharmacology.

Structure-Based Drug Discovery of N-((R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(((S)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide (HTL22562): a Calcitonin Gene-Related Pepti

M. Congreve, J. Mason, F. Deflorian, 2020, Journal of medicinal chemistry.

Crystal structure of the GLP-1 receptor bound to a peptide agonist

Ali Jazayeri, Jonathan S. Mason, Andrea Bortolato, 2017, Nature.

Partition-based selection

Stephen D. Pickett, Jonathan S. Mason, J. Mason, 1996 .

Molecular docking methodologies.

Marco Fanton, Andrea Bortolato, Stefano Moro, 2013, Methods in molecular biology.

X‐Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A2A Adenosine Receptor Antagonists†

M. Congreve, J. Mason, J. Åqvist, 2019, Angewandte Chemie.

Analysis of tractable allosteric sites in G protein-coupled receptors

Amanda E. Wakefield, S. Vajda, J. Mason, 2019, Scientific Reports.

High-Throughput Virtual Screening of Proteins Using GRID Molecular Interaction Fields

James E. J. Mills, Gabriele Cruciani, Jonathan S. Mason, 2010, J. Chem. Inf. Model..

Analysis and optimization of structure-based virtual screening protocols. 2. Examination of docked ligand orientation sampling methodology: mapping a pharmacophore for success.

Yi Li, Andrew C Good, Jonathan S Mason, 2003, Journal of molecular graphics & modelling.

Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis

M. Congreve, J. Mason, J. Errey, 2019, Journal of medicinal chemistry.

Corrigendum: Crystal structure of the GLP-1 receptor bound to a peptide agonist

S. P. Andrews, M. Congreve, J. Mason, 2017, Nature.

Accurate Prediction of GPCR Ligand Binding Affinity with Free Energy Perturbation

Chris de Graaf, Herman van Vlijmen, Jonathan S. Mason, 2020, J. Chem. Inf. Model..

Synthesis and biological activity of trans(+-)-N-methyl-2-(3-pyridyl)-2-tetrahydrothiopyrancarbothioamide 1-oxide (RP 49356) and analogues: a new class of potassium channel opener.

J. Mason, I. McLay, T. Brown, 1992, Journal of medicinal chemistry.

Designing Compound Subsets: Comparison of Random and Rational Approaches Using Statistical Simulation

Willem P. van Hoorn, Jonathan S. Mason, Michael Snarey, 2007, J. Chem. Inf. Model..

Diversity Profiling and Design Using 3D Pharmacophores: Pharmacophore-Derived Queries (PDQ)

Stephen D. Pickett, Iain M. McLay, Jonathan S. Mason, 1996, J. Chem. Inf. Comput. Sci..

New perspectives in lead generation I: Discovery of biological targets

J. Mason, M. Ashton, M. Jaye, 1996 .

Decoding the Role of Water Dynamics in Ligand-Protein Unbinding: CRF1R as a Test Case

Jonathan S. Mason, Francesca Deflorian, Andrea Bortolato, 2015, J. Chem. Inf. Model..

High end GPCR design: crafted ligand design and druggability analysis using protein structure, lipophilic hotspots and explicit water networks

Dahlia R. Weiss, J. Mason, A. Bortolato, 2013, In Silico Pharmacology.

Pharmacophore Pattern Application in Virtual Screening. Library Design and QSAR

Andrew C. Good, Stephen D. Pickett, Jonathan S. Mason, 2000 .

Novel cyclic compounds as potent phosphodiesterase 4 inhibitors.

J. Mason, S. Djurić, B. Hanney, 1998, Journal of medicinal chemistry.

Library design and virtual screening using multiple 4-point pharmacophore fingerprints.

J S Mason, D L Cheney, J. Mason, 1999, Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing.

TEMPORARY REMOVAL: Identification of a novel allosteric GLP-1R antagonist HTL26119 using structure- based drug design.

S. P. Andrews, M. Congreve, J. Mason, 2019, Bioorganic & medicinal chemistry letters.

Novel Macrocyclic Antagonists of the Calcitonin Gene-Related Peptide Receptor: Design, Realization, and Structural Characterization of Protein-Ligand Complexes.

M. Congreve, J. Mason, A. Bortolato, 2022, ACS chemical neuroscience.

Iain M. McLay, Jonathan S. Mason, Richard A. Lewis, 1997, Journal of chemical information and computer sciences.

Descriptors you can count on? Normalized and filtered pharmacophore descriptors for virtual screening

Andrew C. Good, Sung-Jin Cho, Jonathan S. Mason, 2004, J. Comput. Aided Mol. Des..

Rational Screening Set Design and Compound Selection: Cascaded Clustering

Jonathan S. Mason, Richard A. Lewis, Paul R. Menard, 1998, J. Chem. Inf. Comput. Sci..

Abstract 5580: Preclinical pharmacodynamics and antitumor activity of AZD4635, a novel adenosine 2A receptor inhibitor that reverses adenosine mediated T cell suppression

James D. Clarke, M. Congreve, J. Mason, 2017 .

Understanding Ligand Binding Selectivity in a Prototypical GPCR Family

Chris de Graaf, Francesco L. Gervasio, Jonathan S. Mason, 2019, J. Chem. Inf. Model..

GPCR-Bench: A Benchmarking Set and Practitioners' Guide for G Protein-Coupled Receptor Docking

Jonathan S. Mason, Andrea Bortolato, Dahlia R. Weiss, 2016, J. Chem. Inf. Model..

Iain M. McLay, Jonathan S. Mason, Richard A. Lewis, 2010 .