Lemilemu, Fitsum et al. published their research in BMC Chemistry in 2021 |CAS: 2010-06-2

The Article related to thiazole schiff base derivative antibacterial antioxidant activity computational biol, antibacterial, antioxidant, dft analysis, drug likeness, molecular docking, schiff base, thiazole and other aspects.HPLC of Formula: 2010-06-2

On December 31, 2021, Lemilemu, Fitsum; Bitew, Mamaru; Demissie, Taye B.; Eswaramoorthy, Rajalakshmanan; Endale, Milkyas published an article.HPLC of Formula: 2010-06-2 The title of the article was Synthesis, antibacterial and antioxidant activities of Thiazole-based Schiff base derivatives: a combined experimental and computational study. And the article contained the following:

Thiazole-based Schiff base compounds display significant pharmacol. potential with an ability to modulate the activity of many enzymes involved in metabolism They also demonstrated to have antibacterial, antifungal, anti-inflammatory, antioxidant, and antiproliferative activities. In this work, conventional and green approaches using ZnO nanoparticles as catalyst were used to synthesize thiazole-based Schiff base compounds Among the synthesized compounds, 11 showed good activities towards Gram-neg. E. coli (14.40 ± 0.04), and Gram-pos. S. aureus (15.00 ± 0.01 mm), resp., at 200 μg/mL compared to amoxicillin (18.00 ± 0.01 mm and 17.00 ± 0.04). Compounds 7 and 9 displayed better DPPH radical scavenging potency with IC50 values of 3.6 and 3.65 μg/mL, resp., compared to ascorbic acid (3.91 μg/mL). The binding affinity of the synthesized compounds against DNA gyrase B is within – 7.5 to – 6.0 kcal/mol, compared to amoxicillin (- 6.1 kcal/mol). The highest binding affinity was achieved for compounds 9 and 11 (- 6.9, and – 7.5 kcal/mol, resp.). Compounds 7 and 9 displayed the binding affinity values of – 5.3 to – 5.2 kcal/mol, resp., against human peroxiredoxin 5. These values are higher than that of ascorbic acid (- 4.9 kcal/mol), in good agreement with the exptl. findings. In silico cytotoxicity predictions showed that the synthesized compounds LD (LD50) value are class three (50 ≤ LD50 ≤ 300), indicating that the compounds could be categorized under toxic class. D. functional theory calculations showed that the synthesized compounds have small band gap energies ranging from 1.795 to 2.242 eV, demonstrating that the compounds have good reactivities. The synthesized compounds showed moderate to high antibacterial and antioxidant activities. The in vitro antibacterial activity and mol. docking anal. showed that compound 11 is a promising antibacterial therapeutics agent against E. coli, whereas compounds 7 and 9 were found to be promising antioxidant agents. Moreover, the green synthesis approach using ZnO nanoparticles as catalyst was found to be a very efficient method to synthesize biol. active compounds compared to the conventional method. The experimental process involved the reaction of 4-Phenylthiazol-2-amine(cas: 2010-06-2).HPLC of Formula: 2010-06-2

The Article related to thiazole schiff base derivative antibacterial antioxidant activity computational biol, antibacterial, antioxidant, dft analysis, drug likeness, molecular docking, schiff base, thiazole and other aspects.HPLC of Formula: 2010-06-2

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica