Search results for: UREASE INHIBITORS

• COMPUTER-AIDED DESIGN OF ORGANOPHOSPHORUS INHIBITORS OF UREASE

  Publication

  • U. Kalathiya
  • M. Padariya
  • L. Berlicki
  • M. Bagiński

  - International Journal for Computational Biology - Year 2014

  Based on the structure of the most potential inhibitor diamidophosphate, various novel groups of inhibitors were developed by knowledge-based design approach with covalent carbon-phosphorus or carbon-phosphorus-carbon bond to improve hydrolytic stability to inhibit the microbial ureases. Designed compounds were evaluated with 10 (LigScore1, LigScore2, PLP1, PLP2, JAIN, PMF, PMF04, LUDI_1, LUDI_2 and LUDI_3) different scoring functions...

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• Chiral Pyrazolo[4,3-e][1,2,4]triazine Sulfonamides—Their Biological Activity, Lipophilicity, Protein Affinity, and Metabolic Transformations

  Publication

  • Z. Bernat
  • A. Mieszkowska
  • Z. Mazerska
  • J. Matysiak
  • Z. Karczmarzyk
  • K. Kotwica-Mojzych
  • M. Mojzych

  - Applied Sciences-Basel - Year 2021

  Referring to our previous laboratory results related to the tyrosinase and urease inhibition by pyrazolo[4,3-e][1,2,4]triazine sulfonamides, we examined here in silico the mechanism of action at the molecular level of the investigated pyrazolotriazine sulfonamides by the molecular docking method. The studied compounds being evaluated for their cytotoxic effect against cancer cell lines (MCF-7, K-562) and for recombinant Abl and...

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