کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
691178 | 1460425 | 2015 | 11 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Establishment of a screening protocol for identification of aminopeptidase N inhibitors
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی شیمی
تکنولوژی و شیمی فرآیندی
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چکیده انگلیسی
Inhibitors of aminopeptidase N (APN) have been thought as potential drugs for the treatment of tumor angiogenesis, invasion and metastasis and a considerable number of APN inhibitors have been reported recently. To clarify the essential structure-activity relationship for the APN inhibitors as well as identify new potent leads against APN, pharmacophore models were established using structure- and common feature-based approaches and validated with a database of active and inactive compounds. These validated pharmacophores were then used in database screening for novel virtual leads. The hit compounds were further subjected to molecular docking studies to refine the retrieved hits. Finally, six structurally diverse compounds that showed strong interactions with the key amino acids and the zinc ion were selected for biological evaluation, where two hits showed more than 70% inhibition against APN at 60 μM concentration. The evaluation results show the potential of our screening approach in identifying APN inhibitors.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of the Taiwan Institute of Chemical Engineers - Volume 49, April 2015, Pages 19-26
Journal: Journal of the Taiwan Institute of Chemical Engineers - Volume 49, April 2015, Pages 19-26
نویسندگان
Miaomiao Niu, Fengzhen Wang, Fang Li, Yaru Dong, Yueqing Gu,