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ESKAPEing the labyrinth of antibacterial discovery

Nature reviews. Drug discovery, 2015-08, Vol.14 (8), p.529-542

2015

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A New-Class AntibacterialAlmost. Lessons in Drug Discovery and Development: A Critical Analysis of More than 50 Years of Effort toward ATPase Inhibitors of DNA Gyrase and Topoisomerase IV

ACS infectious diseases, 2015-01, Vol.1 (1), p.4-41

2015

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Membrane Composition and Raf[CRD]-Membrane Attachment Are Driving Forces for K‑Ras4B Dimer Stability

The journal of physical chemistry. B, 2022-02, Vol.126 (7), p.1504-1519

2022

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Fragment-to-Hit-to-Lead Discovery of a Novel Pyridylurea Scaffold of ATP Competitive Dual Targeting Type II Topoisomerase Inhibiting Antibacterial Agents

Journal of medicinal chemistry, 2013-11, Vol.56 (21), p.8712-8735

2013

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Optimization of Pyrrolamide Topoisomerase II Inhibitors Toward Identification of an Antibacterial Clinical Candidate (AZD5099)

Journal of medicinal chemistry, 2014-07, Vol.57 (14), p.6060-6082

2014

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Discovery of a novel azaindole class of antibacterial agents targeting the ATPase domains of DNA gyrase and Topoisomerase IV

Bioorganic & medicinal chemistry letters, 2012-08, Vol.22 (15), p.5150-5156

2012

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Molecular determinants of AcrB-mediated bacterial efflux implications for drug discovery

Journal of medicinal chemistry, 2012-03, Vol.55 (6), p.2532-2537

2012

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Structure‐Based Design of Selective Noncovalent CDK12 Inhibitors

ChemMedChem, 2018-02, Vol.13 (3), p.231-235

2018

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A fresh start in the hunt for novel antibacterials

Future medicinal chemistry, 2013-07, Vol.5 (11), p.1185-1187

Manchester, John I

2013

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Eskapeing the labyrinth of antibacterial discovery

Nature reviews. Drug discovery, 2015-09, Vol.14 (9), p.662-662

2015

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Novel topoisomerase inhibitors: microbiological characterisation and in vivo efficacy of pyrimidines

International journal of antimicrobial agents, 2013-04, Vol.41 (4), p.363-371

2013

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Molecular Determinants of AcrB-Mediated Bacterial Efflux Implications for Drug Discovery: Miniperspective

Journal of medicinal chemistry, 2012-03, Vol.55 (6), p.2532-2537

2012

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Evaluation of pKa Estimation Methods on 211 Druglike Compounds

Journal of chemical information and modeling, 2010-04, Vol.50 (4), p.565-571

2010

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Antimicrobial Activity of Adenine-Based Inhibitors of NAD+-Dependent DNA Ligase

ACS medicinal chemistry letters, 2012-08, Vol.3 (8), p.663-667

2012

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A New Mechanistic Probe for Cytochrome P450: An Application of Isotope Effect Profiles

Journal of the American Chemical Society, 1997-05, Vol.119 (21), p.5069-5070

1997

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Evaluating the Efficiency of the Martini Force Field to Study Protein Dimerization in Aqueous and Membrane Environments

Journal of chemical theory and computation, 2021-05, Vol.17 (5), p.3088-3102

2021

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Evolution of Novartis’ Small Molecule Screening Deck Design

Journal of medicinal chemistry, 2020-12, Vol.63 (23), p.14425-14447

2020

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Evaluation of p K a Estimation Methods on 211 Druglike Compounds

Journal of chemical information and modeling, 2010-04, Vol.50 (4), p.565-571

2010

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Use of Intramolecular 1,5-Sulfur–Oxygen and 1,5-Sulfur–Halogen Interactions in the Design of N‑Methyl-5-aryl‑N‑(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine SMN2 Splicing Modulators

Journal of medicinal chemistry, 2021-04, Vol.64 (8), p.4744-4761

2021

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PathwayMap: Molecular Pathway Association with Self-Normalizing Neural Networks

Journal of chemical information and modeling, 2019-03, Vol.59 (3), p.1172-1181

2019

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Martini 3 Force Field Parameters for Protein Lipidation Post-Translational Modifications

Journal of chemical theory and computation, 2023-12, Vol.19 (23), p.8901-8918

2023

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Active Site Mutations of Cytochrome P450cam Alter the Binding, Coupling, and Oxidation of the Foreign Substrates (R)- and (S)-2-Ethylhexanol

Archives of biochemistry and biophysics, 2002-02, Vol.398 (2), p.188-197

2002

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SAMFA: Simplifying Molecular Description for 3D-QSAR

Journal of Chemical Information and Modeling, 2008-06, Vol.48 (6), p.1167-1173

2008

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Erratum: ESKAPEing the labyrinth of antibacterial discovery

Nature reviews. Drug discovery, 2015-08, Vol.14 (9), p.662-662

2015

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Discovery of dual GyrB/ParE inhibitors active against Gram-negative bacteria

European journal of medicinal chemistry, 2018-09, Vol.157, p.610-621

2018

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ESKAPEing the labyrinth of antibacterial discovery

A New-Class AntibacterialAlmost. Lessons in Drug Discovery and Development: A Critical Analysis of More than 50 Years of Effort toward ATPase Inhibitors of DNA Gyrase and Topoisomerase IV

Membrane Composition and Raf[CRD]-Membrane Attachment Are Driving Forces for K‑Ras4B Dimer Stability

Fragment-to-Hit-to-Lead Discovery of a Novel Pyridylurea Scaffold of ATP Competitive Dual Targeting Type II Topoisomerase Inhibiting Antibacterial Agents

Optimization of Pyrrolamide Topoisomerase II Inhibitors Toward Identification of an Antibacterial Clinical Candidate (AZD5099)

Discovery of a novel azaindole class of antibacterial agents targeting the ATPase domains of DNA gyrase and Topoisomerase IV

Molecular determinants of AcrB-mediated bacterial efflux implications for drug discovery

Structure‐Based Design of Selective Noncovalent CDK12 Inhibitors

A fresh start in the hunt for novel antibacterials

Eskapeing the labyrinth of antibacterial discovery

Novel topoisomerase inhibitors: microbiological characterisation and in vivo efficacy of pyrimidines

Molecular Determinants of AcrB-Mediated Bacterial Efflux Implications for Drug Discovery: Miniperspective

Evaluation of pKa Estimation Methods on 211 Druglike Compounds

Antimicrobial Activity of Adenine-Based Inhibitors of NAD+-Dependent DNA Ligase

A New Mechanistic Probe for Cytochrome P450: An Application of Isotope Effect Profiles

Evaluating the Efficiency of the Martini Force Field to Study Protein Dimerization in Aqueous and Membrane Environments

Evolution of Novartis’ Small Molecule Screening Deck Design

Evaluation of p K a Estimation Methods on 211 Druglike Compounds

Use of Intramolecular 1,5-Sulfur–Oxygen and 1,5-Sulfur–Halogen Interactions in the Design of N‑Methyl-5-aryl‑N‑(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine SMN2 Splicing Modulators

PathwayMap: Molecular Pathway Association with Self-Normalizing Neural Networks

Martini 3 Force Field Parameters for Protein Lipidation Post-Translational Modifications

Active Site Mutations of Cytochrome P450cam Alter the Binding, Coupling, and Oxidation of the Foreign Substrates (R)- and (S)-2-Ethylhexanol

SAMFA: Simplifying Molecular Description for 3D-QSAR

Erratum: ESKAPEing the labyrinth of antibacterial discovery

Discovery of dual GyrB/ParE inhibitors active against Gram-negative bacteria

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