Data for: Structural prediction of novel pyrazolo-pyrimidine derivatives against PIM-1 kinase: In-silico drug design studies

In the present manuscript, pharmacophore modeling, 3D-QSAR and docking studies have been performed on pyrazolo-pyrimidine derivatives to identify the essential features required for the development of potential inhibitors.

在本篇论文中，针对吡唑嘧啶衍生物，我们执行了药效团建模、三维定量构效关系（3D-QSAR）和对接研究，以识别开发潜在抑制剂所必需的核心特征。