Qsar studies of angiotensin converting enzyme inhibitors using CoMFA, CoMSIA and molecular docking
نویسندگان
چکیده
منابع مشابه
QSAR studies of histone deacetylase (HDAC) inhibitors by CoMFA, CoMSIA, and molecular docking.
In order to develop highly potent antitumor agents, three-dimensional quantitative structure-activity relationship (3-D QSAR) studies were conducted using a series of thienyl-based hydroxamic acids. Comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) methods were applied to provide the structural information for further chemical modificati...
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For the first time, a set of experimentally reported [60] fullerene derivatives were subjected to the 3D-QSAR/CoMFA and CoMSIA studies. The aim of this study is to propose a series of novel [60] fullerene-based inhibitors with optimal binding affinity for the HIV-1 PR enzyme. The position of the template molecule at the cavity of HIV-1 PR was optimized and 3D QSAR models were developed. Relativ...
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ژورنال
عنوان ژورنال: Journal of the Serbian Chemical Society
سال: 2020
ISSN: 0352-5139,1820-7421
DOI: 10.2298/jsc200615072t