چکیده

Using computational methods, it is possible to examine the interaction of chemical compounds with proteins before conducting experimental experiments, and after ensuring that the compounds are more likely to bind to the target, they can be tested in the laboratory or in living systems. Molecular modeling is a powerful tool for the study of structure-activity relationships (SAR) in the research-based pharmaceutical industry. According to the results of our previous research, the analgesic effect of intra-paragigantocellularis lateralis 17β-estradiol on the formalin-induced inflammatory pain might be mediated via AMPA receptors in Male Rats. This study investigated the antinociceptive role of 17β-estradiol and its interaction with the AMPA receptor by molecular docking. AMPA receptor pdb file was downloaded from Protein Data Bank (PDB) with the code 6WI1. Also, 20 SDF files for 17β-estradiol were downloaded from the ZINC database. The active site was delimited based on reported residues at PDB and complemented with searching of close residues until 6 Å far crystallized protein supported by Molegro Virtual Docker Tools. Thus, active site was constituted by following residues

کليدواژه ها

Molecular Docking, Receptor, AMPA, 17β-estradiol, Analgesia

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امیرعباس برزگری , 1400 , اثر ضددردی 17 بتا استرادیول از طریق گیرنده AMPA: مطالعه داکینگ مولکولی , نخستین همایش بین المللی و سومین همایش ملی ریاضیات زیستی