Objective: Several methods for synthesizing 2-thiohydantoin derivatives have been devised and exploited, and they have found widespread application as antioxidants, antimicrobials, antivirals, and anticancer agents. As a result, we tried to understand the underlying processes of the 2-thiohydantoin derivative's anti-LIHC activity. Methods: We predicted the anticancer mechanism of N-(4-oxo-5-(2-oxo-2-(p-tolylamino)ethyl)-3-phenyl-2-thioxoimidazolidin-1-yl)benzamide as a derivative of 2-thiohydantoin by utilizing molecular docking and molecular dynamic simulation. Furthermore, based on the results of molecular dynamic modelling, we employed bioinformatics to anticipate the immunotherapy of this molecule in the tumor microenvironment (TME) of Liver Hepatocellular Carcinoma (LIHC) patients. Next, we examined how this derivative affected proliferation, cell cycle progression, reactive oxygen species production, and apoptosis in HepG2 cancer cells. Results: Substantially, our investigation revealed that the IC50 value was 2.448 µM and that it arrested the cell cycle of HepG2 in the S phase. Furthermore, molecular docking and dynamics studies revealed a worthy interaction of this compound with AKT1 and CDK2 proteins. Considerably, AKT1 and CDK2 have negative affinity energies of -10.4 kcal/mol and -9.6 kcal/mol, respectively. Several bioinformatic tools were used in this investigation to provide insight into the future clinical application of this derivative as a novel candidate to target immune cells such as macrophages, neutrophils, eosinophils, and CD8+ T cells. Conclusion: The relevance of this 2-thiohydantoin derivative was demonstrated by our experimental tests, docking studies, and bioinformatics analysis, and it may be investigated as a lead molecule for anticancer medicines, notably as AKT1 and CKD2 inhibitors.

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Objective. Analysis of a clinical picture and functional dysfunctions with ADRB2 gene molymorphism in patients with PHCM. Materials and methods. 89 patients with PHCM were included in the study (69 males and 20 females, mean age 46,7±15,7), among which 56 had been diagnosed with the obstructive form, 33 patients had a non-obstructive form of the disease. The control set included 104 healthy donors adequate in age, and gender with PHCM. The clinical picture of the disease was assessed, echocardiographic indicators and daily ECG monitoring parameters were specified. The ADRB2 gene polymorphism analysis was made in all patients. Results. The association of the clinical picture, structural and functional LV myocardial peculiarities with ADRB2 gene polymorphism in patients with PHCM. It was revealed that the combination of Arg16rg/Gln27Gln genotypes is a risk genotype and is associated with the appearance of adverse clinical manifestations of the disease. The combination of Gly16Gly/Glu27Glu genotypes is protective and is Conclusion. The results obtained have revealed the association of the ADRB2 gene polymorphism with clinical, structural and functional dysfunctions in patients with PHCM which will allow making prognoses of adverse clinical manifestations risk and improving β-adrenoblocker treatment of PHCM patients.