کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1364619 981542 2007 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
A simple, yet highly accurate, QSAR model captures the complement inhibitory activity of compstatin
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
A simple, yet highly accurate, QSAR model captures the complement inhibitory activity of compstatin
چکیده انگلیسی
Compstatin is a 13-residue cyclic peptide inhibitor of complement activation that was originally identified through phage-mediated presentation of a peptide library to C3b. Recent efforts to improve its activity have led to a rich dataset of complement analogs, with the most active analog being ∼260 times more active than the parent compstatin. In the present work, a highly transparent quantitative structure-activity relationship model (Radj2 = 0.89) with four parameters is presented that captures important physico-chemical and geometrical properties of the analog molecules with regard to activity. The number of aromatic bonds and hydrophobicity of the fourth residue of compstatin correlated strongly with activity. Also important were the size of the hydrophobic patch near the disulfide bond and the solvent-accessible surface area occupied by nitrogen atoms of basic amino acid residues.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Bioorganic & Medicinal Chemistry - Volume 15, Issue 4, 15 February 2007, Pages 1638-1644
نویسندگان
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