Application of Biomimetic Chromatography and QSRR Approach for Characterizing Organophosphate Pesticides.

ABSTRACT: Biomimetic chromatography is a powerful tool used in the pharmaceutical industry to characterize the physicochemical properties of molecules during early drug discovery. Some studies have indicated that biomimetic chromatography may also be useful for the evaluation of toxicologically relevant molecules. In this study, we evaluated the usefulness of the biomimetic chromatography approach for determining the lipophilicity, affinity to phospholipids, and bind to plasma proteins of selected organophosphate pesticides. Quantitative structure-retention relationship (QSRR) models were proposed to understand the structural features that influence the experimentally determined properties. ACD/labs, Chemicalize, and alvaDesc software were used to calculate theoretical descriptors. Multilinear regre

SUBMITTER: Greber KE 

PROVIDER: S-EPMC11898958 | biostudies-literature | 2025 Feb

REPOSITORIES: biostudies-literature