ArticleJournal of medicinal chemistry2011
Inhibition of 1-deoxy-D-xylulose-5-phosphate reductoisomerase by lipophilic phosphonates: SAR, QSAR, and crystallographic studies.
Article in Journal of medicinal chemistry, 2011. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 24 papers.
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Who cites it
24 citing papers in PubMed.
- Biotransformation-guided production of quinalizarin as an antibacterial agent against Acinetobacter baumannii.Applied microbiology and biotechnology · 2026Article
- Long-Lived Charge-Separated States in Self-Assembled TiOThe journal of physical chemistry. C, Nanomaterials and interfaces · 2026Article
- The Diverse Binding Modes Explain the Nanomolar Levels of Inhibitory Activities Against 1-Deoxy-d-Xylulose 5-Phosphate Reductoisomerase fromMolecules (Basel, Switzerland) · 2024Article
- Article
- Protein Structure Inspired Drug Discovery.bioRxiv : the preprint server for biology · 2024Article
- Synthesis of substituted pyridines with diverse functional groups via the remodeling of (Aza)indole/Benzofuran skeletons.Communications chemistry · 2023Article
- Synthesis of Phosphorus(V)-Substituted Six-MemberedMolecules (Basel, Switzerland) · 2023Review
- First crystal structures of 1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Mycobacterium tuberculosis indicate a distinct mechanism of intermediate stabilization.Scientific reports · 2022Article
- Retracted: Exploring Drug Targets in Isoprenoid Biosynthetic Pathway forBiochemistry research international · 2022Article
- Targeting Metalloenzymes for Therapeutic Intervention.Chemical reviews · 2019Review
- In silico identification of promiscuous scaffolds as potential inhibitors of 1-deoxy-d-xylulose 5-phosphate reductoisomerase for treatment of Falciparum malaria.Pharmaceutical biology · 2017Article
- 3-(Piperidin-4-ylmethoxy)pyridine Containing Compounds Are Potent Inhibitors of Lysine Specific Demethylase 1.Journal of medicinal chemistry · 2016Article
- Alteration of the flexible loop in 1-deoxy-D-xylulose-5-phosphate reductoisomerase boosts enthalpy-driven inhibition by fosmidomycin.Biochemistry · 2014Article
- Acetic Acid Mediated Synthesis of Phosphonate-Substituted Titanium Oxo Clusters.European journal of inorganic chemistry · 2014Article
- The effect of chain length and unsaturation on Mtb Dxr inhibition and antitubercular killing activity of FR900098 analogs.Bioorganic & medicinal chemistry letters · 2014Article
- Mechanistic aspects of carotenoid biosynthesis.Chemical reviews · 2014Review
- Design of Potential Bisubstrate Inhibitors againstMedChemComm · 2013Article
- Expression, characterization and inhibition of Toxoplasma gondii 1-deoxy-D-xylulose-5-phosphate reductoisomerase.Bioorganic & medicinal chemistry letters · 2013Article
- Antimalarial and Structural Studies of Pyridine-containing Inhibitors of 1-Deoxyxylulose-5-phosphate Reductoisomerase.ACS medicinal chemistry letters · 2013Article
- 2-Substituted 4,5-dihydrothiazole-4-carboxylic acids are novel inhibitors of metallo-β-lactamases.Bioorganic & medicinal chemistry letters · 2012Article
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Authors and funding
9 authors.
Funding
Abstract
1-Deoxy-D-xylulose-5-phosphate reductoisomerase (DXR) is a novel target for developing new antibacterial (including antituberculosis) and antimalaria drugs. Forty-one lipophilic phosphonates, representing a new class of DXR inhibitors, were synthesized, among which 5-phenylpyridin-2-ylmethylphosphonic acid possesses the most activity against E. coli DXR (EcDXR) with a K(i) of 420 nM. Structure-activity relationships (SAR) are discussed, which can be rationalized using our EcDXR:inhibitor structures, and a predictive quantitative SAR (QSAR) model is also developed. Since inhibition studies of DXR from Mycobacterium tuberculosis (MtDXR) have not been performed well, 48 EcDXR inhibitors with a broad chemical diversity were found, however, to generally exhibit considerably reduced activity against MtDXR. The crystal structure of a MtDXR:inhibitor complex reveals the flexible loop containing the residues 198-208 has no strong interactions with the 3,4-dichlorophenyl group of the inhibitor, representing a structural basis for the reduced activity. Overall, these results provide implications in the future design and development of potent DXR inhibitors.
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