- Gamma Radiation-Induced Degradation of Acetohydroxamic Acid (AHA) in Aqueous Nitrate and Nitric Acid Solutions Evaluated by Multiscale Modelling. [Journal Article]Chemphyschem. 2022 Dec 05 [Online ahead of print]C
- Acetohydroxamic acid (AHA) has been proposed for inclusion in advanced, single-cycle, used nuclear fuel reprocessing solvent systems for the reduction and complexation of plutonium and neptunium ions. For this application, a detailed description of the fundamental degradation of AHA in dilute aqueous nitric acid is required. To this end, we present a comprehensive, multiscale computer model for t…
- Publisher Full Text (DOI)
- Identification of (N-aryl-N-arylsulfonyl)aminoacetohydroxamic acids as novel urease inhibitors and the mechanism exploration. [Journal Article]Bioorg Chem. 2023 01; 130:106275.BC
- Thirty-three (N-aryl-N-arylsulfonyl)aminoacetohydroxamic acids were synthesized in an effort to develop novel urease inhibitors. Among these compounds, 2-(N-(3-nitrophenyl)-N-(4-tert-butylphenylsulfonyl))aminoacetohydroxamic acid (e2) exhibited excellent inhibitory activity against Helicobacter pylori urease with no perceptible cytotoxicity to mammalian cells. Compound e2 showed over 690-fold hig…
- Publisher Full Text (DOI)
- Synthesis, evaluation and mechanism exploration of 2-(N-(3-nitrophenyl)-N-phenylsulfonyl)aminoacetohydroxamic acids as novel urease inhibitors. [Journal Article]Bioorg Med Chem Lett. 2022 12 15; 78:129043.BM
- Thirteen 2-(N-(3-nitrophenyl)-N-phenylsulfonyl)aminoacetohydroxamic acids which were reported for the first time were designed and synthesized as novel urease inhibitors. Most of them showed higher potency than the positive control acetohydroxamic acid, with 2-(N-(3-nitrophenyl)-N-(4-bromophenylsulfonyl)aminoacetohydroxamic acid (d7) being the most active (IC50 = 0.13 ± 0.01 μM). Compound d7 reve…
- Publisher Full Text (DOI)
- Multiscale modelling of the radical-induced chemistry of acetohydroxamic acid in aqueous solution. [Journal Article]
- Acetohydroxamic acid (AHA) is a small organic acid with a wide variety of industrial, biological, and pharmacological applications. A deep fundamental molecular level understanding of the mechanisms responsible for the radical-induced reactions of AHA in these environments is necessary to predict and control their behaviour and elucidate their interplay with other attendant chemical species, for …
- PMC Free PDF
- Synthesis and Identification of New N,N-Disubstituted Thiourea, and Thiazolidinone Scaffolds Based on Quinolone Moiety as Urease Inhibitor. [Journal Article]
- Synthesis of thiazolidinone based on quinolone moiety was established starting from 4-hydroxyquinol-2-ones. The strategy started with the reaction of ethyl bromoacetate with 4-hydroxyquinoline to give the corresponding ethyl oxoquinolinyl acetates, which reacted with hydrazine hydrate to afford the hydrazide derivatives. Subsequently, hydrazides reacted with isothiocyanate derivatives to give the…
- PMC Free PDF
- Synthesis of Phenols from Aryl Ammonium Salts under Mild Conditions. [Journal Article]J Org Chem. 2022 Oct 07; 87(19):12677-12687.JO
- A general method for the synthesis of phenols from electron-deficient aryl ammonium salts or heteroaryl ammonium salts under mild conditions was developed. Benzaldehyde oxime, acetohydroxamic acid, and hydroxylamine hydrochloride were investigated as hydroxide surrogates respectively. With these hydroxide surrogates, a series of phenols were prepared in yields of 20-98%.
- Publisher Full Text (DOI)
- Phenolic Profile and Antioxidant, Anticholinergic, and Antibacterial Properties of Corn Tassel. [Journal Article]
- Corn tassel (CT) is a waste part of the corn plant. It is a good co-product and rich in terms of bioactive compounds and phytochemicals. This research tried to show the phenolic profile, antioxidants, anticholinergic activities, and antibacterial properties of CT ethanol extract. The phenolic content analysis of the CT was determined quantitatively by LC-MS/MS, and the antioxidant capacity was me…
- PMC Free PDF
- Phytochemical Analysis and In Vitro and In Vivo Pharmacological Evaluation of Parthenium hysterophorus Linn. [Journal Article]
- The main aim of this research was to explore Parthenium hysterophorus Linn phytochemically and pharmacologically. Phytochemical screening is important for the isolation of active compounds before bulk extraction. The crude extracts and their fractions were screened for enzyme (urease, α-glycosidase, and phosphodiesterase) inhibition assays, in vivo analgesic, anti-inflammatory, and sedative effec…
- PMC Free PDF
- Sanguinarine, a major alkaloid from Zanthoxylum nitidum (Roxb.) DC., inhibits urease of Helicobacter pylori and jack bean: Susceptibility and mechanism. [Journal Article]J Ethnopharmacol. 2022 Sep 15; 295:115388.JE
- CONCLUSIONS: SNG could observably inhibit H. pylori urease targeting the thiols and Ni2+, which indicated that SNG was a new urease suppressant with great promise. The present research also provided scientific evidence for the application of SNG and Z. nitidum treating H. pylori-associated gastrointestinal diseases.
- Publisher Full Text (DOI)
- Schiff base tetranuclear Zn2Ln2 single-molecule magnets bridged by hydroxamic acid in association with near-infrared luminescence. [Journal Article]Dalton Trans. 2022 May 03; 51(17):6918-6926.DT
- A series of Zn-Ln heteronuclear SMMs constructed by using a hexadentate compartment Schiff base Zn-precursor and lanthanoid ions were structurally and magnetically characterized, in which the two [Zn-Ln] moieties are bridged by a series of hydroxamic acids, resulting in double-decker tetranuclear complexes with the molecular formulae [ZnL1Ln(C2H5O)(qua)]2(CF3SO3)2·2C2H5OH ((1) Ln = Dy; (7) Ln = Y…
- Publisher Full Text (DOI)
- Two Oxidovanadium(V) Complexes with Hydrazone Ligands: Synthesis, Crystal Structures and Catalytic Oxidation Property. [Journal Article]Acta Chim Slov. 2022 Mar 15; 69(1):235-242.AC
- Two new oxidovanadium(V) complexes, [VOL1(aha)]DMF (1) and [VOL2(mat)] (2), where L1 and L2 are the dianionic form of N'-(4-bromo-2-hydroxybenzylidene)-3-methyl-4-nitrobenzohydrazide and N'-(3,5-dibromo-2-hydroxybenzylidene)pivalohydrazide, respectively, and aha and mat are the monoanionic form of acetohydroxamic acid and maltol, respectively, have been synthesized and structurally characterized …
- Publisher Full Text (DOI)
- Synthesis, Biological Evaluation and in Silico Studies of New Pyrazoline Derivatives Bearing Benzo[d]thiazol-2(3H)-one Moiety as Potential Urease Inhibitors. [Journal Article]
- Novel pyrazoline derivatives containing benzo[d]thiazol-2(3H)-one moiety were synthesized and screened for their inhibitory properties against urease, a clinically important metabolic enzyme. In vitro enzyme inhibition studies revealed that all pyrazolines (7.21-87.77 μM) were more potent than the standard inhibitor acetohydroxamic acid (251.74 μM) against the urease enzyme. Most notably, compoun…
- Publisher Full Text (DOI)
- Recent Efforts in the Discovery of Urease Inhibitor Identifications. [Review]
- Urease is an attractive drug target for designing anti-infective agents against pathogens such as Helicobacter pylori, Proteus mirabilis, and Ureaplasma urealyticum. In the past century, hundreds of medicinal chemists focused their efforts on explorations of urease inhibitors. Despite the FDA's approval of acetohydroxamic acid as a urease inhibitor for the treatment of struvite nephrolithiasis an…
- Publisher Full Text (DOI)
- Coptisine: A natural plant inhibitor of ruminal bacterial urease screened by molecular docking. [Journal Article]
- Inhibition of ruminal bacterial urease activity could slow down the decomposition of urea to ammonia, which would lead to a decrease in urea synthesis in the liver and urea-N emission in the urine. In order to find a rumen bacterial urease specific inhibitor that is environmentally friendly, we used the homology model of rumen bacterial urease as the target to screen natural compounds from plants…
- Publisher Full Text (DOI)
- Inactivation of Jack Bean Urease by Nitidine Chloride from Zanthoxylum nitidum: Elucidation of Inhibitory Efficacy, Kinetics and Mechanism. [Journal Article]
- Urease is a metalloenzyme that catalyzes the hydrolysis of urea into ammonia and carbon dioxide, which has a negative impact on human health and agriculture. In this study, the inactivation of jack bean urease by nitidine chloride (NC) was investigated to elucidate the inhibitory effect, kinetics, and underlying mechanism of action. The results showed that NC acted as a concentration- and time-de…
- Publisher Full Text (DOI)
- Synthesis and Biological Evaluation of Dithiobisacetamides as Novel Urease Inhibitors. [Journal Article]ChemMedChem. 2022 01 19; 17(2):e202100618.C
- Thirty-eight disulfides containing N-arylacetamide were designed and synthesized in an effort to develop novel urease inhibitors. Biological evaluation revealed that some of the synthetic compounds exhibited strong inhibitory potency against both cell-free urease and urease in intact cell with low cytotoxicity to mammalian cells even at concentration up to 250 μM. Of note, 2,2'-dithiobis(N-(2-flu…
- Publisher Full Text (DOI)
- High-throughput tandem-microwell assay for ammonia repositions FDA-Approved drugs to inhibit Helicobacter pylori urease. [Journal Article]FASEB J. 2021 11; 35(11):e21967.FJ
- To date, little attempt has been made to develop new treatments for Helicobacter pylori (H. pylori), although the community is aware of the shortage of treatments for H. pylori. In this study, we developed a 192-tandem-microwell-based high-throughput assay for ammonia that is a known virulence factor of H. pylori and a product of urease. We could identify few drugs, that is, panobinostat, dacinos…
- Publisher Full Text (DOI)
- Developing a scaffold for urease inhibition based on benzothiazoles: Synthesis, docking analysis, and therapeutic potential. [Journal Article]
- The synthesis, in silico molecular docking, and in vitro urease inhibition studies of a novel series of benzothiazole derivatives are reported. The title compounds in the two series, namely, 2-({5-[(benzothiazol-2-ylthio)methyl]-1,3,4-oxadiazol-2-yl}thio)-1-(4-substituted-phenyl)ethan-1-one and 2-(benzothiazol-2-ylthio)-1-(4-substituted-phenyl)ethan-1-one oxime, were synthesized by the reaction o…
- Publisher Full Text (DOI)
- Chelerythrine Chloride: A Potential Rumen Microbial Urease Inhibitor Screened by Targeting UreG. [Journal Article]
- Inhibition of ruminal microbial urease is of particular interest due to its crucial role in regulating urea-N utilization efficiency and nitrogen pollution in the livestock industry. Acetohydroxamic acid (AHA) is currently the only commercially available urease inhibitor, but it has adverse side effects. The urease accessory protein UreG, which facilitates the functional incorporation of the urea…
- PMC Free PDF
- Mechanistic insight into hydroxamate transfer reaction mimicking the inhibition of zinc-containing enzymes. [Journal Article]
- A hydroxamate transfer reaction between metal complexes has been investigated by a combination of experimental and theoretical studies. A hydroxamate-bound cobalt(ii) complex bearing a tetradentate macrocyclic ligand, [CoII(TBDAP)(CH3C(-NHO)O)]+ (1), is prepared by the reduction of a hydroximatocobalt(iii) complex with a biological reductant. Alternatively, 1 is accessible via a synthetic route f…
- PMC Free PDF
- Discovery of Novel Dihydropyrimidine and hydroxamic acid hybrids as potent Helicobacter pylori Urease inhibitors. [Journal Article]
- Two novel series of Dihydropyrimidine-hydroxamic acid hybrids (4a-4l and 5a-5l) were designed, synthesized and evaluated for in vitro Helicobacter pylori urease inhibition. In vitro enzyme inhibition screening led to the discovery of three potent urease inhibitors 2-[[4-(4-hydroxy phenyl)-6-oxo-1,6-dihydropyrimidine-2-yl]-amino]-N-hydroxy acetamide (4g), 2-[[4-(4-chloro phenyl)-6-oxo-1,6-dihydrop…
- Publisher Full Text (DOI)
- Towards catch-up therapy: evaluation of nucleophilic active pharmaceutical ingredients for the treatment of percutaneous VX poisoning, in-vial and in-vitro studies. [Journal Article]Int J Pharm. 2021 Jun 15; 603:120689.IJ
- Dermal exposure to low volatility organophosphorus chemical warfare agents (OP CWA) poses a great risk to the exposed person. Due to their lipophilic nature, these compounds rapidly absorb into the skin, leading to the formation of a "dermal reservoir" from which they slowly enter the bloodstream causing prolonged intoxication. Traditionally, strategies to counter the toxicity of such substances …
- Publisher Full Text (DOI)
- Synthesis, Crystal Structures and Catalytic Property of Oxidovanadium(V) Complexes with N’-(4-Oxopentan-2-ylidene)nicotinohydrazide and 4-Bromo-N’-(4-oxopentan. [Journal Article]Acta Chim Slov. 2020 Sep; 67(3):927-933.AC
- A pair of structurally similar oxidovanadium(V) complexes with the general formula [VOLL'], with the hydrazone compounds N'-(4-oxopentan-2-ylidene)nicotinohydrazide (H2L1) and 4-bromo-N'-(4-oxopentan-2-ylidene)benzohydrazide (H2L2), and the acetohydroxamic acid (HL') as ligands, have been synthesized and structurally characterized by physico-chemical methods and single crystal X-ray determination…
- Untargeted GC-MS investigation of serum metabolomics of coronary artery disease patients. [Journal Article]
- Recent advances in metabolomics provide tools to investigate human metabolome in order to establish new parameters to study different approaches towards diagnostics, diseases and their treatment. The present study focused on the untargeted identification of metabolites in serum of patients with coronary artery disease who were under treatment at the time of sample collection. AUCs (Area Under the…
- PMC Free PDF
- Oral Acidification with l-Methionine as a Noninvasive Treatment for Encrusted Uropathy. [Journal Article]
- Background: Encrusted uropathy (EU) is a rare disease caused by urea-splitting bacteria, most commonly Corynebacterium urealyticum, whose incidence is increasing. Standard treatment is based on pathogen-directed antibiotic therapy, urinary diversion, bladder instillations, and surgical resection of urinary calcifications. Case Presentation: We present the case of a 60-year-old man with symptomati…
- PMC Free PDF
- Synthesis and Structure-Activity Relationship Studies of N-monosubstituted Aroylthioureas as Urease Inhibitors. [Journal Article]Med Chem. 2021; 17(9):1046-1059.MC
- CONCLUSIONS: The results revealed that N-monosubstituted aroylthioureas bound to the active site of urease as expected, and represent a new class of urease inhibitors for the development of potential therapeutics against infections caused by urease-containing pathogens.
- Publisher Full Text (DOI)
- Siderophore-Assisted Dissolution of Iron(III) Hydroxide Oxides from Iron-Rich Fossil Matrices. [Journal Article]Chempluschem. 2020 08; 85(8):1747-1753.C
- Current paleontological techniques to separate vertebrate fossils from encasing iron-rich cements by chemical means are limited by the low solubility of common iron(III) hydroxide oxides such as hematite and goethite. This study examines novel geochemical extractions capable of selectively dissolving iron(III) hydroxide oxides, in aqueous solutions of pH 9-11, without damaging fossilised bones or…
- Publisher Full Text (DOI)
- Molecular Characterization of the Purine Degradation Pathway Genes ALA1 and URE1 of the Maize Anthracnose Fungus Colletotrichum graminicola Identified Urease as a Novel Target for Plant Disease Control. [Journal Article]Phytopathology. 2020 Sep; 110(9):1530-1540.P
- Fungal pathogenicity is governed by environmental factors, with nitrogen playing a key role in triggering pathogenic development. Spores germinating on the plant cuticle are exposed to a nitrogen-free environment, and reprograming of nitrogen metabolism is required for bridging the time needed to gain access to the nitrogen sources of the host. Although degradation of endogenous purine bases effi…
- Publisher Full Text (DOI)
- Synthesis and biological evaluation of triazolyl-substituted benzyloxyacetohydroxamic acids as LpxC inhibitors. [Journal Article]
- The bacterial deacetylase LpxC is a promising target for the development of antibiotics selectively combating Gram-negative bacteria. To improve the biological activity of the reported benzyloxyacetohydroxamic acid 9 ((S)-N-hydroxy-2-{2-hydroxy-1-[4-(phenylethynyl)phenyl]ethoxy}acetamide), its hydroxy group was replaced by a triazole ring. Therefore, in divergent syntheses, triazole derivatives e…
- Publisher Full Text (DOI)
- Preliminary in Vitro Studies on Corynebacterium urealyticum Pathogenetic Mechanisms, a Possible Candidate for Chronic Idiopathic Prostatitis? [Journal Article]
- Corynebacterium urealyticum is a well-known opportunistic uropathogen that can occur with cystitis, pyelonephritis, and urinary sepsis. Although a wide variety of coryneform bacteria have been found from the male genital tract of prostatitis patients, only one clinical case of prostatitis caused by C. urealyticum has been reported. The aim of this study was to evaluate the in vitro tropism of C. …
- PMC Free PDF