3D-QSAR and virtual screening studies of thiazolidine-2,4-dione analogs: Validation of experimental inhibitory potencies towards PIM-1 kinase

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• 作者：Vivek Asati^a ; ^{vivekasatipharma47@gmail.com} ; Sanjay Kumar Bharti^a ; Ashok Kumar Budhwani^b
• 关键词：PIM-1 kinase ; Pharmacophore modeling ; Thiazolidine-2 ; 4-dione ; 3D QSAR ; Docking
• 刊名：Journal of Molecular Structure
• 出版年：2017
• 出版时间：5 April 2017
• 年：2017
• 卷：1133
• 期：Complete
• 页码：278-293
• 全文大小：3624 K
• 卷排序：1133

文摘

Atom-based 3D-QSAR method to analyze the structural aspects. External validation of developed model by various parameters. Comparative molecular docking studies. Pharmacophore based virtual screening of compounds.