In silico studies (ADME) and in vitro evaluation of the cytotoxic and antimicrobial properties of thiosemicarbazones and thiazole compounds

The thiosemicarbazones and thiazoles are known for their versatility of biological activities, among which we can mention: antioxidant, antimicrobial, anticancer activity and the ability to interact with biological macromolecules, HSA and DNA. This study presented two series of molecules 4-(3-(4-nitrophenyl)-4-phenylthiazol-2(3H)-ylidene)-hydrazine)-methyl)-phenol and 4-(3-(4-chlorophenyl)-4 -phenylthiazol-2(3H)-ylidene)-hydrazine)-methyl)-phenol with biological potential against different microorganisms. The in silico ADME profile showed that thiosemicarbazones and thiazoles have good oral bioavailability. The cytotoxicity results in J774 macrophages cells showed that the compounds showed toxicity ranging from 49.15 to 61.28 µM for thiosemicarbazones and from 10.75 to 39.76 µM for thiazoles. Finally, all thiosemicarbazones and thiazoles synthesized were also able to inhibit microbial growth. In yeasts of the genus Candidas sp. we obtained close results ranging from 12.5 to 50 µg/mL. This study demonstrates that the compounds assessed have the potential to be antimicrobial agents in vitro