Structure-based discovery of novel small molecule inhibitors of plateletderived growth factor-B
Structure-based discovery of novel small molecule inhibitors of plateletderived growth factor-B
نویسندگان: فاطمه ذکایی , سیاوش دستمالچی , مریم حمزه میوه رود
کلمات کلیدی: Virtual screening, Platelet-derived growth factor-B, Molecular docking, Molecular dynamics simulation, Anti-PDGF-B agents
MOR8457 antibody
نشریه: 4756 , 103374 , 94 , 2019
| نویسنده ثبت کننده مقاله |
مریم حمزه میوه رود |
| مرحله جاری مقاله |
تایید نهایی |
| دانشکده/مرکز مربوطه |
مرکز تحقیقات بیوتکنولوژی(زیست فناوری) |
| کد مقاله |
70703 |
| عنوان فارسی مقاله |
Structure-based discovery of novel small molecule inhibitors of plateletderived growth factor-B |
| عنوان لاتین مقاله |
Structure-based discovery of novel small molecule inhibitors of plateletderived growth factor-B |
| ناشر |
8 |
| آیا مقاله از طرح تحقیقاتی و یا منتورشیپ استخراج شده است؟ |
خیر |
| عنوان نشریه (خارج از لیست فوق) |
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| نوع مقاله |
Original Article |
| نحوه ایندکس شدن مقاله |
ایندکس شده سطح یک – ISI - Web of Science |
| آدرس لینک مقاله/ همایش در شبکه اینترنت |
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| Platelet-derived growth factor (PDGF) is a family of growth factors with mitogenic and chemotactic activity.
However, uncontrolled and overactivated PDGF signaling has been implicated in a variety of diseases, such as
cancers and atherosclerosis. In this context, inhibition of PDGF-PDGFR signaling is of paramount importance in
progression of such diseases. The purpose of the current study was to identify novel PDGF-B inhibitors using
virtual screening methods. To this end, a combination of molecular modeling techniques such as molecular
docking and dynamics simulation, as well as drug likeness filtering criteria, was applied to select anti-PDGF
peptidomimetic candidates based on crystallography solved structure of an anti-PDGF-B monoclonal antibody
named, MOR8457. In vitro biological assays of the selected compounds revealed two of them being active at
micromolar IC50 concentrations. The presented work can provide a framework for systematic peptidomimetic
identification for anti-PDGF-B agents from large chemical libraries. |
| نام فایل |
تاریخ درج فایل |
اندازه فایل |
دانلود |
| Structure based discovery of PDGF.pdf | 1398/10/17 | 3194884 | دانلود |