[This article belongs to Volume - 55, Issue - 01]
Gongcheng Kexue Yu Jishu/Advanced Engineering Science
Journal ID : AES-14-01-2023-494

Title : Novel Pyridine Derivative Synthesis, Biological Evaluation, Quantum Chemical Studies, and Molecular Docking
Hiba A.Ibraheem, Yasameen K Al-Majedy, Ali Abdullah Issa, Dhurgham Younus,

Abstract : In the presence of Piperidine, the reaction of 4-Hydroxysalicylaldehyde with ethyl 3-oxobutanoate produced the compound 3-acetyl-7-hydroxychromen-2-one (1), which was subsequently cyclized with ammonium acetate to pyridine derivative (APHCP) (2). TLC (Thin Layer Chromatography), Melting level, Fourier-transform infrared spectroscopy, while Proton nuclear magnetic resonance had been utilized to describe the newly created substance. Pyridine derivative (APHCP) (2) is just a synthesized substance that was screened for its antibacterial and antifungal activity against Staphylococcus aureus, Staphylococcus epidermidis, Escherichia coli, Klebsiella sp., and Candida albicans. were selected because they have antifungal and antibacterial effects. Using the diffusion method, Comparing Compound 2 to the popular drug Ampicillin revealed significant antibacterial efficacy. Compared to conventional Diflucan, Pyridine derivative (APHCP) (2) had antifungal solid effectiveness. According to the research, compound 3-acetyl-7-hydroxychromen-2-one (1), and Pyridine derivative (APHCP) (2) have much more antioxidant activity than ascorbic acid, a well-known antioxidant. They were highly effective in neutralizing hydroxyl and DPPH ions. The lowest unoccupied molecular orbital energy (ELUMO) and the highest occupied molecular orbital energy (EHOMO), respectively, were measured and given as quantum chemical parameters. The target compounds (4-Hydroxysalicylaldehyde, 3-acetyl-7-hydroxychromen-2-one (1), Pyridine derivative (APHCP) (2) & Ampicillin) underwent a docking procedure Ampicillin-CTX-M-15. It was demonstrated that the orthostatic target binds to each hit. The location of the enzyme in the (active) state may indicate a competitive inhibition mechanism.