Molecular Docking study, Synthesis and Preliminary Anti-inflammatory and Antimicrobial of New Conjugate of Quinolone-Phenolic Compounds
Molecular Docking study, Synthesis and Preliminary Anti-inflammatory and Antimicrobial of New Conjugate of Quinolone-Phenolic Compounds
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The carboxylic acid group of quinolones was modified; so, we designed new quinolones derivatives with different antioxidants using Ligand Designer from Glide (Schrodinger LLC).The cap group and the linker were optimized through trying various aliphatic and aromatic residues.A new synthesized derivatives (IIa-Vb) were synthesized by esterification of (ciprofloxacin, gatifloxacin, nalidixic acid and norfloxacin) with antioxidants (a: vanillin, b: sesamol) vegas golden knights background through a glycol linker.Based on spectral data (NMR, ATR-FTIR) their structure were confirmed.
The synthesized compounds were screened for their Pharmacological activities.In vivo, the anti-inflammatory effect of (IIa-Vb) compounds was estimated using a rat paw edema model and showed good activity for the end compounds IIa and IId, and their anti-inflammatory and antimicrobial effects were subsequently evaluated virtually-molecularly analyzed ; all prepared compounds show-interesting activity compared to the DMSO control group (solvent and control).in vitro, their antibacterial and antifungal activities were evaluated at concentrations: (12.5, 25 ,50 &100) mg.
using well diffusion method ,for antibacterial activity compared to the reference drug (ciprofloxacin) the results showed significant activity from (IIa, IIb &IIIb) at 12.5 mg, (IIa, IIb ,IIIa ,IIIb,Iva & Vb) at 25 mg , IIIb at 50 mg in case of gram-negative bacteria (Escherichia coli); and (Staphylococcus aureus) (IIa, IIb &IIIb) at 12.5 mg, (IIa, IIb) at 25 mg , IIIb at 50 mg about gram-positive bacteria ,also they shown significant antifungal activity against (Candida albicans) compared with mpu63zm/a Fluconazole drug:(IIa, IIb and IVb) at (50 and 100) mg, (IIb) at 25 mg.ADMET analysis of quasi-active molecules was performed and demonstrated an acceptable drug-like profile and desirable pharmacokinetic properties.