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1.
Microb Pathog ; 138: 103772, 2020 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-31589910

RESUMO

Catheter associated urinary tract infection (CAUTI) is a highly prevalent hospital-acquired infection that is predominantly caused by uropathogenic Escherichia coli (UPEC). It adheres on catheter surface using type I pili as the initial step of pathogenesis that progresses to form biofilm. In this study, potential inhibitors against FimH adhesin of type I pili were screened computationally that yielded ten compounds. These were further validated in vitro against adhesion and biofilm formation. The compounds, 1-Amino-4-hydroxyanthraquinone (Disperse Red 15 or DR15) and 4-(4'-chloro-4-biphenylylsulfonylamino) benzoic acid (CB1) impaired adhesion and biofilm formation without inhibiting the planktonic growth. Also, both compounds inhibited cell assemblages like autoaggregation and swarming motility by unknown mechanisms. DR15 was further derivatised into N-(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl) undec-10-enamide that self-assembled with linseed oil, which was used as the coating material on urinary Foley catheters. The thin-film coating on the catheter did not leach when incubated in artificial urine and effectively restricted biofilm formation of UPEC. Altogether, the thin-film coating of urinary catheter with DR15 inhibited biofilm formation of UPEC and this application could potentially help to reduce CAUTI incidents in healthcare facilities.


Assuntos
Antraquinonas/farmacologia , Biofilmes/efeitos dos fármacos , Escherichia coli Uropatogênica/efeitos dos fármacos , Escherichia coli Uropatogênica/crescimento & desenvolvimento , Adesinas de Escherichia coli , Antraquinonas/química , Sítios de Ligação , Infecções Relacionadas a Cateter/etiologia , Simulação por Computador , Avaliação Pré-Clínica de Medicamentos , Infecções por Escherichia coli/microbiologia , Humanos , Ligantes , Simulação de Acoplamento Molecular , Simulação de Dinâmica Molecular , Estrutura Molecular , Ligação Proteica , Cateteres Urinários/efeitos adversos , Infecções Urinárias/etiologia
2.
Acta Crystallogr C ; 59(Pt 10): O559-61, 2003 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-14532670

RESUMO

The title compound, 1,2-(COOH)(2)-1,2-closo-C(2)B(10)H(10).0.5C(2)H(6)O or C(4)H(12)B(10)O(4).0.5C(2)H(6)O, forms a tetramer by incorporating ethanol (solvent) molecules through hydrogen bonding. Two eight-membered rings [graph set R(2)(2)(8)] are formed by hydrogen bonding between two carboxylic acid groups, whereas two ten-membered rings [R(3)(3)(10)] are formed by hydrogen bonding between two carboxylic acid groups and the OH group of an ethanol molecule (solvent). Two crystallographically independent tetramers are present in the crystal structure.

3.
Acta Crystallogr C ; 59(Pt 10): O586-8, 2003 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-14532679

RESUMO

The title compound, 1-CH(2)OCH(3)-2-COOH-1,2-closo-C(2)B(10)H(10) or C(5)H(16)B(10)O(3), forms a discrete centrosymmetric tetramer, via hydrogen bonding, involving two inner and two outer carborane molecules. One conventional eight-membered hydrogen-bonded ring [graph set R(2)(2)(8)] is formed between two carboxylic acid groups of the inner carboranes. This interaction is then supplemented by an open finite hydrogen bond (graph set D) between the ether O atom of the inner carborane and the carboxylic acid H atom of the outer carborane.

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