Search results for: bayesian inference techniques in chromatography and pharmacometrics

• Electrochemical simulation of metabolic reduction and conjugation reactions of unsymmetrical bisacridine antitumor agents, C-2028 and C-2053

  Publication

  • A. Potęga
  • S. Paczkowski
  • E. Paluszkiewicz
  • Z. Mazerska

  - JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS - Year 2021

  Electrochemistry (EC) coupled with analysis techniques such as liquid chromatography (LC) and mass spectrometry (MS) has been developed as a powerful tool for drug metabolism simulation. The application of EC in metabolic studies is particularly favourable due to the low matrix contribution compared to in vitro or in vivo biological models. In this paper, the EC(/LC)/MS system was applied to simulate phase I metabolism of the representative...

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• Prediction of Overall In Vitro Microsomal Stability of Drug Candidates Based on Molecular Modeling and Support Vector Machines. Case Study of Novel Arylpiperazines Derivatives

  Publication

  • S. Ulenberg
  • M. Belka
  • M. Król
  • F. Herold
  • W. Hewelt-Belka
  • A. Kot-Wasik
  • T. Bączek

  - PLOS ONE - Year 2015

  Other than efficacy of interaction with the molecular target, metabolic stability is the primary factor responsible for the failure or success of a compound in the drug development pipeline. The ideal drug candidate should be stable enough to reach its therapeutic site of action. Despite many recent excellent achievements in the field of computational methods supporting drug metabolism studies, a well-recognized procedure to model...

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