Developing new hybrid scaffold for urease inhibition based on carbazole-chalcone conjugates: Synthesis, assessment of therapeutic potential and computational …
Although a diverse range of chemical entities offering striking therapeutic potential against
urease enzyme has been reported, the key challenges (toxicity and safety) associated with …
urease enzyme has been reported, the key challenges (toxicity and safety) associated with …
Effect of Zn⋅⋅⋅ Zn separation on the hydrolytic activity of model dizinc phosphodiesterases
From the study of highly preorganized model systems, experimental support has been
obtained for a possible functional role of the Zn–(H) O⋅⋅⋅ HO (H)–Zn motif in oligozinc …
obtained for a possible functional role of the Zn–(H) O⋅⋅⋅ HO (H)–Zn motif in oligozinc …
Fluoride inhibition of Sporosarcina pasteurii urease: structure and thermodynamics
Urease is a nickel-dependent enzyme and a virulence factor for ureolytic bacterial human
pathogens, but it is also necessary to convert urea, the most worldwide used fertilizer, into …
pathogens, but it is also necessary to convert urea, the most worldwide used fertilizer, into …
Design and synthesis of new barbituric-and thiobarbituric acid derivatives as potent urease inhibitors: Structure activity relationship and molecular modeling studies
In this study 36 new compounds were synthesized by condensing barbituric acid or
thiobarbituric acid and respective anilines (bearing different substituents) in the presence of …
thiobarbituric acid and respective anilines (bearing different substituents) in the presence of …
Large-scale virtual screening for the identification of new Helicobacter pylori urease inhibitor scaffolds
Here, we report a structure-based virtual screening of the ZINC database (containing about
five million compounds) by computational docking and the analysis of docking energy …
five million compounds) by computational docking and the analysis of docking energy …
Design, synthesis, and evaluation of novel organophosphorus inhibitors of bacterial ureases
S Vassiliou, A Grabowiecka… - Journal of Medicinal …, 2008 - ACS Publications
A new group of organophosphorus inhibitors of urease, P-methyl phosphinic acids was
discovered by using the structure based inhibitor design approach. Several derivatives of …
discovered by using the structure based inhibitor design approach. Several derivatives of …
The crystal structure of Sporosarcina pasteurii urease in a complex with citrate provides new hints for inhibitor design
Urease, the enzyme that catalyses the hydrolysis of urea, is a virulence factor for a large
number of ureolytic bacterial human pathogens. The increasing resistance of these …
number of ureolytic bacterial human pathogens. The increasing resistance of these …
X-ray structure of a dihydropyrimidinase from Thermus sp. at 1.3 Å resolution
J Abendroth, K Niefind, D Schomburg - Journal of molecular biology, 2002 - Elsevier
Dihydropyrimidinases (hydantoinases) catalyse the reversible hydrolytic ring-opening of
cyclic diamides such as dihydropyrimidines in the catabolism of pyrimidines. In …
cyclic diamides such as dihydropyrimidines in the catabolism of pyrimidines. In …
Identification of novel urease inhibitors by high-throughput virtual and in vitro screening
OR Abid, TM Babar, FI Ali, S Ahmed… - ACS Medicinal …, 2010 - ACS Publications
Ureases are important in both agriculture and human health. Bacterial ureases are directly
involved in many farm-field problems and pathological conditions. Here, we report a …
involved in many farm-field problems and pathological conditions. Here, we report a …
Insights into Urease Inhibition by N-(n-Butyl) Phosphoric Triamide through an Integrated Structural and Kinetic Approach
The nickel-dependent enzyme urease represents a negative element for the efficiency of soil
nitrogen fertilization as well as a virulence factor for a large number of pathogenic and …
nitrogen fertilization as well as a virulence factor for a large number of pathogenic and …