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Catalysis

Working Paper

QM/MM Simulations Reveal the Determinants of Carbapenemase Activity in Class A β-lactamases

Ewa Chudyk, Michael Beer, Michael A.L. Limb, Charlotte A. Jones, James Spencer, Mark W. van der Kamp, Adrian Mulholland

Version 1 posted 22 March 2022

308

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1

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Biological and Medicinal Chemistry

Working Paper

A Synthetic Antibiotic Scaffold Effective Against Multidrug-Resistant Bacterial Pathogens

Matthew Mitcheltree, Amarnath Pisipati, Egor A. Syroegin, Katherine J. Silvestre, Dorota Klepacki, Jeremy Mason, Daniel W. Terwilliger, Giambattista Testolin, Aditya R. Pote, Kelvin J. Y. Wu, Richard Porter Ladley, Kelly Chatman, Alexander S. Mankin, Yury S. Polikanov, Andrew G. Myers

Version 1 posted 30 March 2021

939

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2

Citations

Biological and Medicinal Chemistry

Working Paper

Mechanistic Investigations of Metallo-β-Lactamase Inhibitors: Strong Zinc Binding Is Not Required for Potent Enzyme Inhibition

Nicola Wade, Kamaleddin Tehrani, Nora Brüchle, Matthijs J. van Haren, Vida Mashayekhi, Nathaniel Martin

Version 1 posted 16 November 2020

440

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Biological and Medicinal Chemistry

Working Paper

Multiscale simulations identify origins of differential carbapenem hydrolysis by the OXA-48 β-lactamase

Viivi Hirvonen, Tal Moshe Weizmann, Adrian Mulholland, James Spencer, Marc van der Kamp

Version 2 posted 23 March 2022

358

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1

Citations

Theoretical and Computational Chemistry

Review

Chemoinformatics and Artificial Intelligence Colloquium: Progress and Challenges to Develop Bioactive Compounds

Jürgen Bajorath, Ana L. Chávez-Hernández, Miquel Duran-Frigola, Eli Fernández-de Gortari, Johann Gasteiger, Edgar López-López, Gerald M. Maggiora, José L. Medina-Franco, Oscar Méndez-Lucio, Jordi Mestres, Ramón Alain Miranda-Quintana, Tudor I. Oprea, Fabien Plisson, Fernando D. Prieto-Martínez, Raquel Rodríguez-Pérez, Paola Rondón-Villarreal, Fernanda I. Saldívar-Gonzalez, Norberto Sánchez-Cruz, Marilia Valli

Version 2 posted 09 August 2022

838

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Biological and Medicinal Chemistry

Working Paper

Pyrimidine-2-amines increase susceptibility of methicillin-resistant Staphylococcus aureus to penicillin G

Payton Thomas, Margaret Deming, Aurijit Sarkar

Version 2 posted 28 March 2022

323

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Biological and Medicinal Chemistry

Working Paper

Novel Cephalosporin Conjugates Display Potent and Selective Inhibition of IMP Type Metallo-β-Lactamases

Kamaleddin Tehrani, Nicola Wade, Vida Mashayekhi, Nora Brüchle, Willem Jespers, Koen Voskuil, Diego Pesce, Matthijs J. van Haren, Gerard van Westen, Nathaniel Martin

Version 1 posted 08 December 2020

395

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Biological and Medicinal Chemistry

Working Paper

Antimicrobial activity of self-assembled structures formed by protected amino acids

Nidhi Gour, Haren Gosai, Monisha Patel, Ajay Patel, Akshar Vaishnani

Version 1 posted 30 May 2023

216

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Inorganic Chemistry

Working Paper

Dynamic Interaction of Norfloxacin to Magnesium Monitored by Bacterial Outer Membrane Nanopores

Jiajun Wang, Jigneshkumar Dahyabhai Prajapati, Ulrich Kleinekathöfer, Mathias Winterhalter

Version 1 posted 19 May 2020

601

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Physical Chemistry

Working Paper

Elucidating the Molecular Basis of Avibactam Mediated Inhibition of Class A β-Lactamases

Chandan Kumar Das, Nisanth N. Nair

Version 1 posted 11 October 2019

697

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Refine Search

12 results in Antibiotic resistance in Keywords: Antibiotic resistance

QM/MM Simulations Reveal the Determinants of Carbapenemase Activity in Class A β-lactamases

A Synthetic Antibiotic Scaffold Effective Against Multidrug-Resistant Bacterial Pathogens

Mechanistic Investigations of Metallo-β-Lactamase Inhibitors: Strong Zinc Binding Is Not Required for Potent Enzyme Inhibition

Multiscale simulations identify origins of differential carbapenem hydrolysis by the OXA-48 β-lactamase

Chemoinformatics and Artificial Intelligence Colloquium: Progress and Challenges to Develop Bioactive Compounds

Pyrimidine-2-amines increase susceptibility of methicillin-resistant Staphylococcus aureus to penicillin G

Novel Cephalosporin Conjugates Display Potent and Selective Inhibition of IMP Type Metallo-β-Lactamases

Antimicrobial activity of self-assembled structures formed by protected amino acids

Dynamic Interaction of Norfloxacin to Magnesium Monitored by Bacterial Outer Membrane Nanopores

Elucidating the Molecular Basis of Avibactam Mediated Inhibition of Class A β-Lactamases

12 results in Keywords: Antibiotic resistance