| Abstrakt: |
Bromo, Nitro, Dichloro, Amino Substituted Carboxylate Derivatives of Thiophenes[a=2-bromo, b=4-nitro,d=2,4-dichloro, f=3-amino] have been synthesized by using Gewald reaction under mild reaction conditions. The obtained products were analyzed by IR, 1HNMR, 13C NMR, and Mass spectroscopy techniques. These compounds have explored binding affinity against GlcN-6-P synthesis. Taking into account factors such as docking energy, binding energy, inhibition constant and intermolecular energy, molecular docking determined the optimal potential conformations for the compounds obtained. Synthesized compounds NR3 and NR6 exhibited the lowest binding energy compared to the standard fluconazole. In vitro, biological studies such as antibacterial, antifungal, antidiabetic, and anti-inflammatory properties were investigated for the synthesized compounds NR3, NR4, NR6, and NR8. The compounds showed significant antibacterial, antifungal, antidiabetic, and anti-inflammatory activities. The results showed that almost all synthesized compounds were more potent against Bacillus cereus and Candida albicans than the standard drugs Ciprofloxacin and Itraconazole. [ABSTRACT FROM AUTHOR] |
