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Biological and Medicinal Chemistry

Working Paper

Microplate-Based Enzymatic Activity Assay Protocol Powered by Activity-Based Probes

Exequiel Porta, Karunakaran Kalesh, Jaime Isern, Patrick Steel

Version 2 posted 16 April 2024

247

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Biological and Medicinal Chemistry

Working Paper

Efficient Crystallization of Apo Sirt2 for Small Molecule Soaking and Structural Analysis of Ligand Interactions

Florian Friedrich, Matthias Schiedel, Sören Swyter, Lin Zhang, Wolfgang Sippl, Mike Schutkowski, Oliver Einsle, Manfred Jung

Version 2 posted 26 November 2024

229

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Organic Chemistry

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Identification of a privileged scaffold for inhibition of sterol transport proteins through the synthesis and ring distortion of diverse, pseudo-natural products

Frederik Simonsen Bro, Laura Depta, Nienke Dekker, Hogan Bryce-Rogers, Kaia Præstegaard, Tino Petersson, Thomas Whitmarsh-Everiss, Mariusz Kubus, Luca Laraia

Version 1 posted 24 July 2024

314

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Theoretical and Computational Chemistry

Working Paper

Myricetin Preferentially Binds to Interfacial Regions in Domains 1 – 3 to Inhibit Cholesterol-Dependent Cytolysins: A Molecular Docking Study

Rafael Espiritu

Version 1 posted 26 May 2020

385

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Biological and Medicinal Chemistry

Working Paper

Attacking COVID-19 Progression using Multi-Drug Therapy for Synergetic Target Engagement

Mathew Coban, Juliet Morrison, William Freeman, Evette S. Radisky, Karine Le Roch, Thomas Caulfield

Version 2 posted 16 July 2020

1,051

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Organic Chemistry

Working Paper

Synthesis of Uronic Acid 1-Azasugars as Putative Inhibitors of a-Iduronidase, b-Glucuronidase and Heparanase

Gareth Doherty, Geraldine Ler, Norbert Wimmer, Paul Bernhardt, Roger Ashmus, David Vocadlo, Zach Armstrong, Gideon Davies, Marco Maccarana, Jin-ping Li, Yasmin Kayal, Vito Ferro

Version 1 posted 25 October 2022

217

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Theoretical and Computational Chemistry

Working Paper

In Silico Exploration of Efficacious Inhibitors for SARS-CoV-2’s Papain-like Protease

Tien Huynh, Wendy Cornell, Binquan Luan

Version 1 posted 03 November 2020

429

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Theoretical and Computational Chemistry

Working Paper

Polarizable MD and QM/MM Investigation of Acrylamide-based Leads to Target the Main Protease of SARS-CoV-2

Jorge Nochebuena, G. Andrés Cisneros

Version 1 posted 18 April 2022

265

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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

404

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Biological and Medicinal Chemistry

Working Paper

Computational Determination of Potential Inhibitors of SARS-CoV-2 Main Protease

Son Tung Ngo, Ngoc Quynh Anh Pham, Ly Le, Duc-Hung Pham, Van Vu

Version 2 posted 02 June 2020

1,546

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30 results in inhibitors in Keywords: inhibitors

Microplate-Based Enzymatic Activity Assay Protocol Powered by Activity-Based Probes

Efficient Crystallization of Apo Sirt2 for Small Molecule Soaking and Structural Analysis of Ligand Interactions

Identification of a privileged scaffold for inhibition of sterol transport proteins through the synthesis and ring distortion of diverse, pseudo-natural products

Myricetin Preferentially Binds to Interfacial Regions in Domains 1 – 3 to Inhibit Cholesterol-Dependent Cytolysins: A Molecular Docking Study

Attacking COVID-19 Progression using Multi-Drug Therapy for Synergetic Target Engagement

Synthesis of Uronic Acid 1-Azasugars as Putative Inhibitors of a-Iduronidase, b-Glucuronidase and Heparanase

In Silico Exploration of Efficacious Inhibitors for SARS-CoV-2’s Papain-like Protease

Polarizable MD and QM/MM Investigation of Acrylamide-based Leads to Target the Main Protease of SARS-CoV-2

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

Computational Determination of Potential Inhibitors of SARS-CoV-2 Main Protease

30 results in Keywords: inhibitors