Optimization of the anticonvulsant activity of 2-acetamido-N-benzyl-2-(5-methylfuran-2-yl) acetamide using QSAR modeling and molecular docking techniques

Optimization of the anticonvulsant activity of 2-acetamido-N-benzyl-2-(5-methylfuran-2-yl) acetamide using QSAR modeling and molecular docking techniques

Chemometric descriptors were used to analyze quantitatively the anticonvulsant activity of ninety propanamide derivatives. Molecular geometries of the data set were optimized with B3LYP/6-31G∗∗ quantum mechanical method and chemometric descriptors were calculated from the optimized structure. Linear...

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Bibliographic Details
Main Authors:	Oluwaseye Adedirin, Adamu Uzairu, Gideon A. Shallangwa, Stephen E. Abechi
Format:	Article
Language:	English
Published:	SpringerOpen 2018-12-01
Series:	Beni-Suef University Journal of Basic and Applied Sciences
Online Access:	http://www.sciencedirect.com/science/article/pii/S2314853517305231

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