ArticleChemical biology & drug design2010
Derivatives of salicylic acid as inhibitors of YopH in Yersinia pestis.
Article in Chemical biology & drug design, 2010. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
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Who cites it
11 citing papers in PubMed, 26 citations in OpenAlex.
- Antibiotic Therapy of Plague: A Review.Biomolecules · 2021Review
- EDock-ML: A web server for using ensemble docking with machine learning to aid drug discovery.Protein science : a publication of the Protein Society · 2021Article
- Article
- Aurintricarboxylic acid structure modifications lead to reduction of inhibitory properties against virulence factor YopH and higher cytotoxicity.World journal of microbiology & biotechnology · 2016Article
- Exploring Oxidovanadium(IV) Complexes as YopH Inhibitors: Mechanism of Action and Modeling Studies.ACS medicinal chemistry letters · 2015Article
- Redox process is crucial for inhibitory properties of aurintricarboxylic acid against activity of YopH: virulence factor of Yersinia pestis.Oncotarget · 2015Article
- Nitropropenyl benzodioxole, an anti-infective agent with action as a protein tyrosine phosphatase inhibitor.The open medicinal chemistry journal · 2014Article
- Biomolecular Interactions of small-molecule inhibitors affecting the YopH protein tyrosine phosphatase.Chemical biology & drug design · 2013Article
- Inhibitors of the Yersinia protein tyrosine phosphatase through high throughput and virtual screening approaches.Bioorganic & medicinal chemistry letters · 2013Article
- Oxime-based linker libraries as a general approach for the rapid generation and screening of multidentate inhibitors.Nature protocols · 2012Article
- Isothiazolidinone (IZD) as a phosphoryl mimetic in inhibitors of the Yersinia pestis protein tyrosine phosphatase YopH.Acta crystallographica. Section D, Biological crystallography · 2011Article
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Authors and funding
7 authors at 3 institutions in 1 country.
Funding
Abstract
Yersinia pestis causes diseases ranging from gastrointestinal syndromes to bubonic plague and could be misused as a biological weapon. As its protein tyrosine phosphatase YopH has already been demonstrated as a potential drug target, we have developed two series of forty salicylic acid derivatives and found sixteen to have micromolar inhibitory activity. We designed these ligands to have two chemical moieties connected by a flexible hydrocarbon linker to target two pockets in the active site of the protein to achieve binding affinity and selectivity. One moiety possessed the salicylic acid core intending to target the phosphotyrosine-binding pocket. The other moiety contained different chemical fragments meant to target a nearby secondary pocket. The two series of compounds differed by having hydrocarbon linkers with different lengths. Before experimental co-crystal structures are available, we have performed molecular docking to predict how these compounds might bind to the protein and to generate structural models for performing binding affinity calculation to aid future optimization of these series of compounds.
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