UDC: 615.276:547.789:542.91

Aim. To accomplish the synthesis and screening of anticancer and antimicrobial activities of 1-[2-amino-4-methylthiazol-5-yl]-3-arylpropenones 2-10. Methods. The in vitro anticancer activity of compounds 4, 6, 8-10 has been established by DTP(Developmental Therapeutics Program) of the National Cancer Institute. The antibacterial and antifungal activities of synthesized thiazole-based derivatives were evaluated in vitro with the agar diffusion and broth microdilution methods to wards Gram-positive, Gram-negative bacteria and yeasts. For the synthesized compounds, the in silico drug-likeness screening using SwissADME online server is reported. Results. The novel 1-[2-amino-4-methylthiazol-5-yl]-3-arylpropenones were synthesized from 1-[2-amino-4-methylthiazol-5-yl]ethanones and various aromatic aldehydes in the Claisen–Schmidt condensation. The synthesized compound 9 was moderately active
against the leukemia CCRF-CEM and HL-60(TB), renal cancer UO-31 and breast cancer MCF7 cell lines. The antimicrobial screening led to identification of the active compound 10 against Staphylococcus aureus, Pseudomonas aeruginosa, and Candida albicans. Conclusions. The results obtained herein provide a platform for structure-based optimization of these newly identified thiazole-based compounds for the anticancer and antibacterial drug design. K e y w o r d s: thiazoles, Claisen-Schmidt condensation, anticancer activity, antimicrobial activity, SwissADME

УДК 582.675.1 + 61 + 615.1

The article presents the generalized results of the analysis of literature data on botanical description, distribution area, the content of biologically active compounds, pharmacological activity, and aspects of Thalictrum foetidum use in pharmacy and medicine. Prospects for pharmacognostic and pharmacological studies of the plant are established, based on the results of the analysis. © 2021, V.I. Vernadsky Taurida National University. All rights reserved.

biologically active substances; botanical description; distribution; pharmacological action; Thalictrum foetidum

УДК 582.675.1 + 61 + 615.1

The authors provide generalized data from the analysis of literature sources on the botanical description, distribution area, content of biologically active compounds, biological action, and aspects of the use of Clematis vitalba in pharmacy and medicine. It is established that it is promising to conduct pharmacognostic, phytochemical, and pharmacological studies of the plant in order to introduce it into the practical pharmacy. © 2021, V.I. Vernadsky Taurida National University. All rights reserved.

area of distribution; biological action; biologically active compounds; Clematis vitalba; description; Ranunculaceae

УДК 615.276:547.789:542.91

The aim of the work.To predict the mechanisms of antiсancer activity using modern web tools for the compound Les-6489.

Materials and Methods. Molecular docking of EGFR and HER2 tyrosine kinases was performed for compound Les-6489. To evaluate the stability of complexes with Les-6489, molecular dynamics (MD) simulations were performed using GROMACS 13, which is accessed through the SiBioLead server.

Results and Discussion. As a result of in silico studies, a mechanism of antitumor activity was predicted for the studied compound Les-6489, which is implemented by inhibiting EGFR and HER2 tyrosine kinases.

Conclusions.The obtained results may become a platform for further structural optimization of the identified thiazole-isoindole hybrid molecule in the development of modern anticancer agents

In this work, the title compound was synthesized via the Claisen–Schmidt condensation of a 2-((5-acetyl-4-methylthiazol-2-yl)amino)isoindoline-1,3-dione with 2-fluorobenzaldehyde. The structure of the synthesized compound (yield 62%) was confirmed by 1H, 13C NMR, and LC–MS spectra. According to US NCI protocols, the compound displayed a high level of antimitotic activity against tested human tumor cells, with mean GI50/TGI values of 15.72/50.68 μM. The drug-like properties of the synthesized compound were evaluated using SwissAdme, revealing satisfactory drug-like parameters, and it presents interest for the design of new synthetic agents with biological activity.