کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
7694120 1496477 2016 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Computational methods to design cyclic peptides
ترجمه فارسی عنوان
روش های محاسباتی برای طراحی پپتیدهای چرخه ای
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی (عمومی)
چکیده انگلیسی
Cyclic peptides (CPs) are promising modulators of protein-protein interactions (PPIs), but their application remains challenging. It is currently difficult to predict the structures and bioavailability of CPs. The ability to design CPs using computer modeling would greatly facilitate the development of CPs as potent PPI modulators for fundamental studies and as potential therapeutics. Herein, we describe computational methods to generate CP libraries for virtual screening, as well as current efforts to accurately predict the conformations adopted by CPs. These advances are making it possible to envision robust computational design of active CPs. However, unique properties of CPs pose significant challenges associated with sampling CP conformational space and accurately describing CP energetics. These major obstacles to structure prediction likely must be solved before robust design of active CPs can be reliably achieved.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Current Opinion in Chemical Biology - Volume 34, October 2016, Pages 95-102
نویسندگان
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