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Amin Sepehr, Sepideh Fereshreh, Farzad Badmasti ©

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کد: G-82435

نویسندگان: Amin Sepehr, Sepideh Fereshreh, Farzad Badmasti ©

زمان بندی: زمان بندی نشده!

برچسب: ویرایش شده

دانلود: دانلود پوستر

خلاصه مقاله: Abstract Objective: Nowadays, finding new antibiotics against A. baumannii seems necessary. Resistance to currently used antibiotics has limited effective drugs against this bacterium. Material and method: In this study, we targeted LpxA protein, which is involved in the early stage of LPS biosynthesis. In the next step, we used peptide 920 and 1,2- ETHANEDIOL as templates to find similar compounds using Drugbank and Zinc 15 web server, respectively. Finally, the characteristics, ADMET properties, water solubility and drug-likeness of the desired compounds were evaluated using SwissADME and DruLiTo software. Results: According to considered criteria, drug databases suggested 5 (Ilomastat, Macrolactam-1, Macrolactam-2, Macimorelin and Oglufanide) and 4 (ZINC895048, ZINC895081, ZINC901061 and ZINC1531008) compounds. The result of the HDOCK server and Molegro virtual docker (MVD) showed that Macrolactam-1 and ZINC895081 (Citrate) had the highest docking score. According to Lipinski's rule, these two compounds are non-carcinogenic, non-toxic and promising drugs against LpxA of A. baumannii. Conclusion: It seems that Macrolactam-1 and ZINC895081 (Citrate) are two valuable promising drugs against the LpxA protein of A. baumannii. Keywords: Acinetobacter baumannii, LpxA inhibitors, Virtual screening method, LPS biosynthesis, promising drugs, Macrolactam.

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