کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5511951 | 1540217 | 2017 | 29 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Characterization, molecular docking, dynamics simulation and metadynamics of kisspeptin receptor with kisspeptin
ترجمه فارسی عنوان
تشخیص، تکثیر مولکولی، شبیه سازی دینامیک و متادینامیک گیرنده کیسیپتین با کیسپپتین
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کلمات کلیدی
موضوعات مرتبط
علوم زیستی و بیوفناوری
بیوشیمی، ژنتیک و زیست شناسی مولکولی
زیست شیمی
چکیده انگلیسی
We report molecular characterization of the kisspeptin receptor (kiss1r), an essential gatekeeper for reproduction and onset of puberty in vertebrates. The full-length cDNA sequence of kiss1r is 1786Â bp which consist of 5â² UTR (untranslated region) 261Â bp, 3â² UTR of 424Â bp and open reading frame of 1101 encoding a putative protein of 366 amino acids. Basal tissue expression pattern of kiss1r mRNA revealed that it is mainly expressed in the brain and testis. We also report the structure of the kiss1r, along with plausible activation mechanism of this receptor by kisspeptin using computational modelling and dynamic simulation approach of multiple 100Â ns of timescale. A present modelling and simulations studies shed light on the molecular level of interaction, suggesting that direct hydrogen bonds between ASN4, SER5, GLY7, ARG9 and PHE10 of kisspeptin and TRP7, ASN8, GLU11, ILE17, ASN19 and TYR183 of kiss1r could be crucial role players in initial binding of receptor and the kisspeptin towards allosteric modulatory effects of kisspeptin on the receptor. To the best our knowledge, this is the first report on computational modelling and molecular dynamic simulations of kiss1r in animals shedding light on its possible mode of activation.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: International Journal of Biological Macromolecules - Volume 101, August 2017, Pages 241-253
Journal: International Journal of Biological Macromolecules - Volume 101, August 2017, Pages 241-253
نویسندگان
Mohd Ashraf Rather, Syed Hussain Basha, Irfan Ahmad Bhat, Niti Sharma, Priyanka Nandanpawar, Mohan Badhe, Gireesh-Babu P, Aparna Chaudhari, Jitendra Kumar Sundaray, Rupam Sharma,