Russian Journal of Physical Chemistry A, vol.97, no.11, pp.2488-2500, 2023 (SCI-Expanded)
Abstract: In this study, 3-methyl/5-bromo/5-nitro-thiophene-2-carbaldehydes were reacted with 4‑amino-1-propanol and thiophene derivatives including alcohole group (1–3) were obtained. The newly compounds (1–3) were characterized by FTIR and NMR methods. The optimized geometries, NMR-IR data and MEP map of compounds 1–3 were obtained at DFT/B3LYP/6-311++G(d,p) level. The leishmanicidal activity against Leishmania infantum promastigotes was determined in vitro by microdilution broth method for compounds 1–3. As a result, compounds 1–3 studied were effective against Leishmania specie, while compound 3 was found to be effective at very low concentrations. In addition, compounds 1–3 were tested for their antimicrobial activity. 8 different pathogenic microorganisms were selected for the antimicrobial activity test. The compounds 1–3 showed antimicrobial activities, but compound 3 demonstrated excellent antimicrobial activities against all the tested microorganisms. To examine possible interactions between synthesized compound 3 and target proteins was used by in silico analysis.