کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1396972 1501222 2007 11 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
In-silico drug screening method based on the protein–compound affinity matrix using the factor selection technique
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
In-silico drug screening method based on the protein–compound affinity matrix using the factor selection technique
چکیده انگلیسی

We have developed a new in-silico drug screening method, a modified version of a docking score index (DSI) method, based on a protein–compound docking affinity matrix. By using this method, the docking scores are converted to the docking score indexes by the principal component analysis (PCA) method and each compound is projected into a PCA space. In this study, we propose a method to select a set of suitable principal component axes and evaluate the database enrichment for 12 target proteins. This method selects the new active compounds or hits, which are close to the known active compounds, thereby enhancing the database enrichment.

We have developed a new in-silico drug screening method, which is a modified docking score index method. By using this method, the enhancement of the database enrichment is achieved.Figure optionsDownload as PowerPoint slide

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: European Journal of Medicinal Chemistry - Volume 42, Issue 7, July 2007, Pages 966–976
نویسندگان
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