USING DIGITAL RESOURCES PASS ONLINE AND ADMET LAB 3.0 FOR PREDICTING THE BIOLOGICAL ACTIVITY OF COMPOUNDS

Abstract

The research topic is of particular relevance in modern chemical and pharmaceutical science, as the use of in silico methods in the search and analysis of biologically active compounds makes the research process faster and more efficient. The use of digital resources PASS online and ADMET Lab 3.0 enables preliminary prediction of the pharmacological activity and pharmacokinetic properties of compounds. During the study, the PASS online platform was used to identify the potential pharmacological effects of the compounds, while the ADMET Lab 3.0 system provided a comprehensive assessment of their absorption, distribution, metabolism, and toxicity parameters. The obtained results revealed the potential of the studied compounds as structural prototypes of drug candidates and laid the foundation for their further synthetic and biological investigations.