The Development and Theoretical Examination of Hplc-Ms Determination Method For A Novel Veterinary Drug Tryfuzol-Neo 1% In Meat And Animal Organs

Abstract

Abstract: This study aimed to develop and validate an HPLC-MS method for determining Tryfuzol-neo 1% (piperidinium-{[5-(2-furan)-4-phenyl-4Н-1,2,4-triazole-3-ylthio)acetate}) in food control, veterinary, and biological samples, while also investigating its molecular interactions with cancer targets. A novel HPLC-MS methodology was developed and successfully applied to quantify Tryfuzol-neo residues in meat and animal organ matrices. Complementary computational studies were conducted using Gaussian calculations at B3LYP, HF, and M062X levels with 6-31g, 6-31++g, and 6-31++g(d,p) basis sets to examine the compound's properties. Molecular docking and dynamics simulations revealed stable binding interactions between Tryfuzol-neo and six cancer-related proteins: 2JW2, 2H80, and 3WZE (liver cancer); 2XIR and 5C5S (kidney cancer); and 3VF8 (spleen cancer). The results demonstrate the method's effectiveness for detecting Tryfuzol-neo in complex biological samples, while the computational analyses suggest potential therapeutic applications through specific protein interactions. This work presents the first validated HPLCMS protocol for Tryfuzol-neo detection in food safety and veterinary medicine contexts, with the additional finding of its promising binding affinity to multiple cancer targets. The combination of analytical and in silico approaches provides a comprehensive characterization of Tryfuzol-neo, supporting its potential dual use as both a veterinary drug and a candidate for further anticancer research. These findings warrant additional pharmacological studies to explore Tryfuzol-neo's therapeutic potential and mechanism of action against the investigated cancer types.