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Reversible Small Molecule pan-Ras Inhibitors Display Tunable Affinity for the Active and Inactive forms of Ras.

Charles Parry, Francesca Pellicano, Alexander W. Schüttelkopf, Kim Beyer, Justin Bower, Amy Bryson, Kenneth S. Cameron, Nichole M. Cerutti, Jonathan P. Clark, Stuart Davidson, Keneth Davies, Martin J. Drysdale, Jeffrey Engelman, Anna Estevan-Barber, Andrea Gohlke, Christopher H. Gray, Daniel A. Guthy, Min Hong, Alana Hopkins, Luke Hutchinson, Jennifer Konczal, Michel Maira, Duncan McArthur, Mokdad Mezna, Heather McKinnon, Ridvan Nepravishta, Nils Ostermann, Camila Pasquali, Katie Pollock, Angelo Pugliese, Nicholas Rooney, Niko Schmiedeberg, Paul Shaw, Camilo Velez-Vega, Christopher West, Ryan West, Frederic Zecri, John B. Taylor

Version 2 posted 14 November 2024

1,022

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Physical Chemistry

Working Paper

Micromolar concentration affinity study on a benchtop NMR spectrometer with secondary 13C labeled hyperpolarized ligands

Olivier Cala, Charlotte Bocquelet, Chloé Gioiosa, Felix Torres, Samuel F. Cousin, Sylvie Guibert, Morgan Ceillier, Venita Busse, Frank Decker, James G. Kempf, Stuart J. Elliott, Quentin Stern, Aurélien Bornet, Sami Jannin

Version 2 posted 05 September 2024

346

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Biological and Medicinal Chemistry

Working Paper

Identification of β-Strand Mediated Protein-Protein Interaction Inhibitors Using Ligand-Directed Fragment Ligation

Zsófia Hegedüs Zsófia Hegedüs, Fruzsina Hobor, Deborah K. Shoemark, sergio Celis, Lu-Yun Lian, Chi Trinh, Richard Sessions, Thomas Edwards, Andrew Wilson

Version 1 posted 05 June 2020

529

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Biological and Medicinal Chemistry

Working Paper

Extensive Crystallographic Fragment-Based Approach to Design SARS CoV2 3CLpro Main Protease Inhibitors and Related Metadata

Sarfraz Ahmad, Iskandar Abdullah, Yean Kee Lee, Mamoona Nazir, Muhammad Usman Mirza, John F. Trant, Noorsaadah Binti Abd Rahman

Version 1 posted 11 January 2021

589

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1

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Biological and Medicinal Chemistry

Working Paper

A Formylglycine-Peptide for the Site-Directed Identification of Phosphotyrosine-Mimetic Fragments

Markus Tiemann, Eric Nawrotzky, Peter Schmieder, Leon Wehrhan, Silke Bergemann, Vera Martos, Christoph Arkona, Bettina G. Keller, Jörg Rademann

Version 1 posted 08 April 2022

228

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Biological and Medicinal Chemistry

Working Paper

Linking ATP and allosteric sites to achieve superadditive binding with bivalent EGFR kinase inhibitors

Florian Wittlinger, Blessing C. Ogboo, Ekaterina Shevchenko, Tahereh Damghani, Calvin D. Pham, Ilse K. Schaeffner, Brandon T Oligny, Surbhi P. Chitnis, Tyler S. Beyett, Alexander Rasch, Brian Buckley, Daniel A. Urul, Tatiana Shaurova, Earl W. May, Erik M. Schaefer, Michael J. Eck, Pamela A. Hershberger, Antti Poso, Stefan A. Laufer, David E. Heppner

Version 2 posted 19 September 2023

718

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1

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Theoretical and Computational Chemistry

Working Paper

Systemic Evolutionary Chemical Space Exploration For Drug Discovery

Chong Lu, Shien Liu, Weihua Shi, Jun Yu, Zhou Zhou, Xiaoxiao Zhang, Xiaoli Lu, Faji Cai, Ning Xia, Yikai Wang

Version 1 posted 07 December 2021

767

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Biological and Medicinal Chemistry

Working Paper

Fragment tailoring strategy to design novel chemical entities as potential binders of novel corona virus main protease

Chinmayee Choudhury

Version 2 posted 27 April 2020

1,093

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Biological and Medicinal Chemistry

Working Paper

Development of Inhibitors Against Mycobacterium Abscessus tRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches

Andrew J. Whitehouse, Sherine E. Thomas, Karen P. Brown, Alexander Fanourakis, Daniel Chan, M. Daben J. Libardo, Vitor Mendes, Helena I. M. Boshoff, R. Andres Floto, Chris Abell, Tom. L. Blundell, Anthony Coyne

Version 1 posted 16 May 2019

590

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Biological and Medicinal Chemistry

Working Paper

Fragment-Based NMR Screening of the BPTF PHD Finger Methyl Lysine Reader Leads to the First Small Molecule Inhibitors

Caroline Buchholz, Molly Sneddon, Joseph McPherson, Sourav Das, Clifford Gee, Michael Grillo, Sergio Chai, Richard Lee, Taosheng Chen, Dan Harki, Anang Shelat, William Pomerantz

Version 1 posted 14 August 2023

278

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Refine Search

14 results in Fragment-based Drug Discovery in Keywords: Fragment-based Drug Discovery

Reversible Small Molecule pan-Ras Inhibitors Display Tunable Affinity for the Active and Inactive forms of Ras.

Micromolar concentration affinity study on a benchtop NMR spectrometer with secondary 13C labeled hyperpolarized ligands

Identification of β-Strand Mediated Protein-Protein Interaction Inhibitors Using Ligand-Directed Fragment Ligation

Extensive Crystallographic Fragment-Based Approach to Design SARS CoV2 3CLpro Main Protease Inhibitors and Related Metadata

A Formylglycine-Peptide for the Site-Directed Identification of Phosphotyrosine-Mimetic Fragments

Linking ATP and allosteric sites to achieve superadditive binding with bivalent EGFR kinase inhibitors

Systemic Evolutionary Chemical Space Exploration For Drug Discovery

Fragment tailoring strategy to design novel chemical entities as potential binders of novel corona virus main protease

Development of Inhibitors Against Mycobacterium Abscessus tRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches

Fragment-Based NMR Screening of the BPTF PHD Finger Methyl Lysine Reader Leads to the First Small Molecule Inhibitors

14 results in Keywords: Fragment-based Drug Discovery