Computational approach for the assessment of inhibitory potency against beta-amyloid aggregation

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• 作者：Marek Bajda^a ; ^b ; ^{marek.bajda@uj.edu.pl} ; Sławomir Filipek^b
• 关键词：Beta-amyloid ; Aggregation ; Inhibitors ; Molecular dynamics ; Simulations
• 刊名：Bioorganic & Medicinal Chemistry Letters
• 出版年：2017
• 出版时间：15 January 2017
• 年：2017
• 卷：27
• 期：2
• 页码：212-216
• 全文大小：1323 K
• 卷排序：27

文摘

The influence of inhibitors on amyloid Aβ17-42 was studied using MD simulations. The active compounds significantly destroyed β-sheet structure of amyloid. The assessment method of anti-aggregation potency enables to design new inhibitors.