Synthesis, in-vitro and in-silico studies of 2-iminothiazolidin-4- ONE derivatives as anti-urease
Abstract
The metalloenzyme urease, known for its high reactivity and toxicity, plays a significant role in the development of various diseases, including gastric ulcers and kidney stones, and contributes to nitrogen depletion in soil, thereby hindering sustainable agricultural practices.This study outlines the design, synthesis, in vitro enzymatic evaluation, and molecular docking analyses of 2-iminothiazolidin-4-one) derivatives as potent urease inhibitors.A set of six 2-iminothiazolidin-4-one derivatives demonstrated impressive urease inhibition, with IC50 values ranging from 2.4 to 10.1 µM, outperforming standard controls such as thiourea (IC50 = 22.25 ± 0.25 µM).Molecular docking studies provided insights into their binding interactions, highlighting the crucial involvement of the thiazolidine ring's sulfur and other chemical groups in engaging with the active site's nickel ions and forming vital hydrogen and ionic bonds.These findings suggest that 2-iminothiazolidin-4-one derivatives hold promise as lead compounds for the development of new urease inhibitors with enhanced effectiveness and favorable safety profiles.
Read the paper
Related studies
- The Prediction of the In Vitro Release Curves for PLGA-Based Drug Delivery Systems with Neural Networks
- Promising Ursolic Acid as a Novel Antituberculosis Agent: Current Progress and Challenges
- Proof of principle concept for the analysis and functional prediction of rare genetic variants in the CYP2C19 and CYP2D6 genes
- Fabrication, characterization, and docking studies of furosemide-loaded nanosponges using the emulsion solvent diffusion method
- The Effect of Concomitant Administration of Proton Pump Inhibitors on the Pharmacokinetics of CDK4/6 Inhibitors in Rats: Implications for the Evaluation of Hepatic and Transporter-Mediated Drug–Drug Interactions
- Mining the Metabolic Capacity of Clostridium sporogenes Aided by Machine Learning
Go deeper in Evidence Hub
Evidence Hub adds a study data sheet (design, sample size, evidence level, key numbers), an AI summary and a chat grounded in the paper's text.