At present, the development of new drugs and their production have become the most important branch of domestic science and industry. The creation of local pharmaceutical production in the Russian Federation is one of the priorities of the country's development. In Russia, the Strategy for the Development of the Pharmaceutical Industry (“PHARMA-2020”) was approved, which was extended for the period until 2024 [1]. Among the important objectives of the strategy is to increase the share of domestically produced products in the domestic market up to 50%. With the growth of the pharmaceutical industry and the widespread use of drugs, their release into the environment is inevitable. In this regard, the search for effective methods and new ways to remove antibiotics from water bodies is currently an important scientific and practical task. The rapid development of nanotechnologies, in particular the field of low-dimensional nanomaterials, can make a significant contribution to the development of this area and the improvement of the described situation. The adsorption of drug molecules on a safe carrier is the most preferred purification methods, since they offer the possibility of using simple chemical-physical processes in the purification of water, air, and surfaces from organic pollutants, which makes this process environmentally friendly and economical. Nanomaterials with a high specific surface area are ideal platforms for the development and production of low-cost and high-performance biosensors, biofilters, and carriers of antibacterial agents. These materials include hexagonal boron nitride (h-BN). This material has a unique set of properties: low specific gravity, high thermal and chemical stability, heat resistance, biocompatibility, good adsorption capacity and a wide band gap. Thus, nanostructured h-BN is an ideal candidate for an absorbent material. However, the efficiency of adsorption on an ideal surface of hexagonal boron nitride is hampered by a small number of activated centers, which requires its modification. The novelty of the project lies in conducting a systematic experimental and theoretical study and building a general model for the sorption / desorption of various antibacterial drugs on the surface of modified boron nitride nanoparticles. The main objective of this project is to study the processes of sorption and desorption of various types of antibiotics in relation to h-BN nanostructures by both theoretical and experimental methods. Such a systematic approach will make it possible to deeply study the process of sorption/desorption of antibiotics of various classes, to describe the type of analyte binding to the adsorbent, to determine the nature of sorption, and to study its dependence on external conditions. Nanoparticles based on h-BN with various surface modifications will be studied - introducing defects, decorating with atoms and/or metal nanoparticles, introducing foreign atoms into the structure, etc. Antibiotics of various groups will be selected as analytes, including macrolides (erythromycin), sulfonamides (sulfamethoxazole ), diaminopyrimidines (trimethoprim), aminoglycosides (ciprofloxacin), tetracyclines (tetracycline), and β-lactams (penicillin). Such a comprehensive study will ultimately make it possible to produce effective adsorbents and membranes based on them for wastewater treatment from pharmaceutical pollution.