Výsledky vyhledávání - "O.V. Ilyichova"

Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX)

Autor: O.V. Ilyichova, Begoña Heras, M.R. Bentley, Gaurav Sharma, Martin J. Scanlon, Jennifer L. Martin, Martin Williams, Biswaranjan Mohanty, Peter J. Scammells, Geqing Wang, Makrina Totsika, Ben Capuano, Rebecca L. Whitehouse, Bradley C. Doak, Wesam S. Alwan

Publikováno v: Journal of Medicinal Chemistry. 63:6863-6875

A bottleneck in fragment-based lead development is the lack of systematic approaches to elaborate the initial fragment hits, which usually bind with low affinity to their target. Herein, we describe an analysis using X-ray crystallography of a divers

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7e77ff44eab3bb42776e903568b483e4
https://doi.org/10.1021/acs.jmedchem.0c00111

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Fatty acid binding proteins shape the cellular response to activation of the glucocorticoid receptor

Autor: Stephan J, Melchiore F, Gosgnach W, Michelle L. Halls, Valour D, Indu R. Chandrashekaran, Genissel P, Porter Cj, Dacquet C, Bourrier C, Giganti A, O.V. Ilyichova, Bonan Liu, Weaver Rj, Martin J. Scanlon

Glucocorticoids are steroid hormones that are essential for life in mammals. Therapeutically, they are some of the most cost-effective drugs for the treatment of inflammatory diseases ranging from skin rashes to COVID-19, but their use is limited by

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::12235e336bac043e7a54c2bff87891bf
https://doi.org/10.1101/2021.07.02.450968

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Elaboration of a Benzofuran Scaffold and Evaluation of Binding Affinity and Inhibition of Escherichia coli DsbA: A Fragment-Based Drug Design Approach to Novel Antivirulence Compounds

Autor: Makrina Totsika, Rabeb Dhouib, Belinda M. Abbott, Begoña Heras, Geqing Wang, Luke F. Duncan, O.V. Ilyichova, Martin J. Scanlon

Bacterial thiol-disulfide oxidoreductase DsbA is essential for bacterial virulence factor assembly and has been identified as a viable antivirulence target. Herein, we report a structure-based elaboration of a benzofuran hit that bound to the active

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Substituted 1-methyl-4-phenylpyrrolidin-2-ones - Fragment-based design of N-methylpyrrolidone-derived bromodomain inhibitors

Autor: Martin J. Scanlon, Simon J. Mountford, J.P. Hilton-Proctor, Jake Shortt, Ricky W. Johnstone, O.V. Ilyichova, Philip E. Thompson, Zhaohua Zheng, Ian G. Jennings

Publikováno v: European journal of medicinal chemistry. 191

N-Methylpyrrolidone is one of several chemotypes that have been described as a mimetic of acetyl-lysine in the development of bromodomain inhibitors. In this paper, we describe the synthesis of a 4-phenyl substituted analogue - 1-methyl-4-phenylpyrro

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::51466159bb276cbe964630f9e43fa97c
https://pubmed.ncbi.nlm.nih.gov/32120339

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Synthesis and elaboration of N-methylpyrrolidone as an acetamide fragment substitute in bromodomain inhibition

Autor: Philip E. Thompson, J.P. Hilton-Proctor, Jake Shortt, O.V. Ilyichova, Zhaohua Zheng, Martin J. Scanlon, Simon J. Mountford, Ian G. Jennings, Ricky W. Johnstone

Publikováno v: Bioorganic & Medicinal Chemistry. 27:115157

N-Methylpyrrolidone is a solvent molecule which has been shown to compete with acetyl-lysine-containing peptides for binding to bromodomains. From crystallographic studies, it has also been shown to closely mimic the acetamide binding motif in severa

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f0307d1c8f3bfc4380e4899066e03660
https://doi.org/10.1016/j.bmc.2019.115157

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The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors

Autor: Martin J. Scanlon, Belinda M. Abbott, Begoña Heras, Geqing Wang, O.V. Ilyichova, Luke F. Duncan

Publikováno v: Molecules, Vol 24, Iss 20, p 3756 (2019)
Molecules
Volume 24
Issue 20

A fragment-based drug discovery approach was taken to target the thiol-disulfide oxidoreductase enzyme DsbA from Escherichia coli (EcDsbA). This enzyme is critical for the correct folding of virulence factors in many pathogenic Gram-negative bacteria

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fa9eee8f969c8df6e58cb4238c906877
https://doi.org/10.3390/molecules24203756

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Application of fragment-based screening to the design of inhibitors of Escherichia coli DsbA

Publikováno v: Angewandte Chemie (International ed. in English). 54(7)

The thiol-disulfide oxidoreductase enzyme DsbA catalyzes the formation of disulfide bonds in the periplasm of Gram-negative bacteria. DsbA substrates include proteins involved in bacterial virulence. In the absence of DsbA, many of these proteins do

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c5b75cdc3db3e8f395e28cb5294d4e78
https://pubmed.ncbi.nlm.nih.gov/25556635

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