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صفحه اصلی
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بیست و نهمین کنفرانس شیمی آلی ایران
Antibacterial evaluation and MTT test, in silico characters and molecular docking studies of newly synthesized schiff base hexamethylenediamine and N,N-dimethylaminobenzaldehyde
نویسندگان :
Parisa Babaei ( دانشگاه آزاد اسلامی واحد اردبیل ) , Vahideh HadighehRezvan ( دانشگاه آزاد اسلامی واحد اردبیل )
کلید واژه ها :
Schiff base،Molecular docking،Ligand-receptor interaction،MTT test،Antibacterial
چکیده مقاله :
Schiff base ligands have attracted a lot of attention in recent years due to their pharmacological and biological applications such as antimalarial, antiproliferative, analgesic, anti-inflammatory, antibacterial, antiviral, antipyretic, antifungal, antitumor and antioxidant [1,2]. Inthis research, the Schiff base ligand (L) was synthesized through the reaction between hexamethylenediamine and N,N-dimethylaminobenzaldehyde in the presence of methanol solvent and a few drops of concentrated acetic acid under reflux conditions. The structure of the reaction product has been identified using FT-IR, 1H NMR, 13C NMR and CHN spectral data. Then, in order to perform molecular docking by AutoDockVinasoftware, the crystallographic structures of protein receptors 1STE, 1HSG, 1Z11 and 1AJ6 were extracted from the protein database (RCSB PDB). Among them, the best conformation with the strongest binding is related to the interaction between the ligand and the active site of the 1HSG (-8.37 kcal/mol)receptor. Also, according to the results obtained from the disk diffusion, MIC and MBC tests, it can be concluded that the synthesized ligand shows antibacterial properties against bacteria. IC50 values of MCF-7 cell lines obtained show that at the concentration of 6.27 mg/ml, 50% of cancer cells were killed (Scheme 1).
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