др Дарија Обрадовић

03. октобра 2022.

У оквиру семинара Центра за изучавање комплексних система Института за физику у Београду, у четвртак, 06. октобра 2022. године у 14 часова путем Zoom платформе, др Дарија Обрадовић (Лабораторија за биомиметику, Институт за физику у Београду ), одржаће предавање:

Modeling the retention and molecular mechanisms in chromatography: fundamentals and applicability in drug development and discovery


The discovery and development of new drugs is a complex time-consuming, multi-step process. The first phases of drug discovery are increasingly dependent on advanced computer simulations, and laboratory technologies. Technological progress has made it possible to reliably select the most effective drugs-candidates in the first stages, which will further enter animal and human testing. In this way, production costs and ethical risks are reduced, while efficiency is increased. The liquid chromatography techniques can be used as laboratory models for preliminary screening in drug discovery. The types of interactions that can occur in a chromatographic system often correspond to drug interactions in the living environment. The successful application of chromatography is ensured by understanding the physical aspects of the leading mechanisms that affect the drug behavior in the system (e.g., entropy-controlled behavior), by mathematical modeling – predicting the drug behavior in relation to the system parameters, derivation of chromatographic parameters and their physico-chemical meaning, and by defining the main molecular mechanisms (e.g., van der Waals interactions). So far, there are no general patterns by which the drug behavior in the chromatographic system can be predicted and defined. Depending on the type of system and group of compounds, it is necessary to determine reliable conditions and models regarding the main fundamental processes.

In this talk, we will discuss methods for modeling and understanding the chromatographic behavior of drugs that have central neural activity for the system of dual hydrophilic/reversed-phase interactions, and supercritical liquid chromatography [1-4].

[1] D. Obradović et al., J. Chromatogr. A 1678, 463340 (2022).
[2] D. Obradović et al., J. Chromatogr. A 1619, 460951 (2020).
[3] D. Obradović et al., J. Chromatogr. A 1603, 371 (2019).
[4] D. Obradović et al., J. Chromatogr. A 1585, 92 (2019).

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Meeting ID: 831 5700 4145
Passcode: 151410