Discovery of potential visfatin activators using in silico docking and ADME predictions as therapy for type 2 diabetes
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چکیده
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Molecular docking and in silico ADME prediction of Ticagrelor as an antagonist of the P2Y12 receptor
The purpose of the present research work is prediction of electronic and physico-chemical properties of the novel medicinal compound Ticagrelor (AZD6140) using density functional theory (DFT) method. Firstly, its molecular structure was optimized at B3LYP/6-311++G(d,p) basis set of theory at room temperature. The global reactivity indices used to study the reactivity and stability of the title ...
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ژورنال
عنوان ژورنال: Beni-Suef University Journal of Basic and Applied Sciences
سال: 2018
ISSN: 2314-8535
DOI: 10.1016/j.bjbas.2018.02.007