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مجله دانشگاه علوم پزشکی فسا، جلد ۱۰، شماره ۳، صفحات ۲۴۸۷-۲۴۹۷
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| عنوان فارسی |
همولوژی مدلینگ و داکینگ مولکولی پروتئین کیناز لیشمانیا، E۹BJT۵، هدفی جدید برای درمان لیشمانیوز(مقاله انگلیسی) |
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| چکیده فارسی مقاله |
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| کلیدواژه‌های فارسی مقاله |
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| عنوان انگلیسی |
Homology Modeling and Molecular Docking of the Leishmania Protein Kinase, E9BJT5, A New Target for Leishmaniasis Therapeutics |
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| چکیده انگلیسی مقاله |
Background & Objective: Leishmaniasis is taken into account as a parasitic disease caused by the Leishmania genus. A major challenge of the leishmaniasis is associated with the occurrence of treatment failure after drug treatment. Target identification is a significant factor to reach a drug development. Hence, protein kinases play an important role in drug designing (e.g, LmxMPK and CRK3). This study is developed to predict and assess the three-dimensional structure for E9BJT5 protein in Leishmania and its binding affinity for different calcium channel blockers. Materials & Methods: The three-dimensional structure was predicted and assessed for the protein by the I-TASSER and Procheck servers, respectively. In the molecular docking method, interactions between different calcium channel blockers and the predicted model of E9BJT5 were investigated using the Autodock vina in PyRx 0.8 software. Thereafter, the interaction results were analyzed by Chimera software, and thus the stronger potential interactions were identified. Results: Docking results showed that the lidoflazine and lercanidipine (the values were -8.3 and -7.6 kcal/mol, respectively) were obtained as the top-ranked drugs in the binding to the active site of the protein. Conclusion: In this study, using in silico approach, the E9BJT5 protein could be a viable target for designing the novel drugs against the Leishmania parasite. The docking results demonstrated that two drugs (i.e., lidoplasin and lercantipine) may be considered as anti-leishmanial drugs. Further studies are recommended to evaluate the interactions between these drugs and the target. |
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| کلیدواژه‌های انگلیسی مقاله |
Leishmania, Calcium channel blockers, Homology modeling, Molecular docking |
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| نویسندگان مقاله |
نیلوفر لاری | Niloofar Lari
Department of Biochemistry, Faculty of Sciences, Payame Noor University, Tehran, Iran
گروه بیوشیمی، دانشکده علوم پایه، دانشگاه پیام نور، تهران، ایران
راضیه جلال | Razieh Jalal
Department of Chemistry, Faculty of Science, Ferdowsi University of Mashhad, Mashhad, Iran
گروه شیمی، دانشکده علوم پایه، دانشگاه فردوسی مشهد، مشهد، ایران
مجید رجبیان نقندر | Majid Rajabian Noghuondar
Department of Biochemistry, Faculty of Sciences, Payame Noor University, Tehran, Iran
گروه بیوشیمی، دانشکده علوم پایه، دانشگاه پیام نور، تهران، ایران
زرین مینوچهر | Zarrin Minuchehr
Systems Biotechnology Department, National Institute of Genetic Engineering and Biotechnology, Tehran, Iran
گروه زیست فناوری سامانه ای، پژوهشگاه ملی مهندسی ژنتیک و بیوتکنولوژی، تهران، ایران
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| نشانی اینترنتی |
http://jabs.fums.ac.ir/browse.php?a_code=A-10-2692-1&slc_lang=en&sid=1 |
| فایل مقاله |
فایلی برای مقاله ذخیره نشده است |
| کد مقاله (doi) |
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| زبان مقاله منتشر شده |
en |
| موضوعات مقاله منتشر شده |
انگل شناسی |
| نوع مقاله منتشر شده |
پژوهشی |
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