چاپ صفحه |  صفحه نخست سامانه |  چکیده مقاله |  نویسندگان |  دانلود مقاله | دانشگاه علوم پزشکی تبریز |
| نویسنده ثبت کننده مقاله | سیاوش دستمالچی |
| مرحله جاری مقاله | تایید نهایی |
| دانشکده/مرکز مربوطه | مرکز تحقیقات بیوتکنولوژی(زیست فناوری) |
| کد مقاله | 59376 |
| عنوان فارسی مقاله | Modeling of the hEP1 receptor based on the crystallographic structure of β 2 -adrenergic receptor and its assessment with docking studies and molecular dynamics simulation |
| عنوان لاتین مقاله | Modeling of the hEP1 receptor based on the crystallographic structure of β 2 -adrenergic receptor and its assessment with docking studies and molecular dynamics simulation |
| ناشر | 4 |
| آیا مقاله از طرح تحقیقاتی و یا منتورشیپ استخراج شده است؟ | بلی |
| عنوان نشریه (خارج از لیست فوق) | |
| نوع مقاله | Original Article |
| نحوه ایندکس شدن مقاله | ایندکس شده سطح یک – ISI - Web of Science |
| آدرس لینک مقاله/ همایش در شبکه اینترنت | http://daru.tums.ac.ir/index.php/daru/article/view/560 |
| Introduction: The human EP1 (hEP1) prostanoid receptor is a G-Protein Coupled Receptor (GPCR) which plays important physiological roles in some systems in the body like cardiovascular and immune systems and could be a very important target for drug design. Materials and methods: To understand the molecular structure of hEP1 receptor, a homology model of the receptor was constructed from the 2.4 Å resolution crystal structure of human β adrenergic receptor (PDB code: 2RH1), using three different sequence alignments. The model including PGE inside the active site was subjected to molecular dynamics simulation. Docking studies were performed for PGE 2 and 10 prostanoid analogs in the active site of the modeled receptor. Results and Discussion: The structure of modeled receptor remained stable during the 10 nanosecond(ns) simulation. In the docking simulations a correlation of r 2 =0.74 was observed between the K i 2 values and the docking scores of the prostanoid compounds. The structure which was modeled in the present study can be used in the structure-based drug design, helping the rational design of novel ligands for the hEP1 receptor. 2 |
| نویسنده | نفر چندم مقاله |
|---|---|
| سیاوش دستمالچی | سوم |
| نام فایل | تاریخ درج فایل | اندازه فایل | دانلود |
|---|---|---|---|
| 45.pdf | 1395/08/26 | 1669966 | دانلود |
