Quantitative Structure-activity Relationship of TIBO HIV-1 Inhibitors

• 作 者: LI Xiao-Hong ZHANG Rui-Zhou CH
• 机 构: CollegeofScience,InstituteofAtomicandMolecularPhysics
• 出 处: 结构化学
• 发表日期: 2007年8期
• 关键词: 结构活性 量子化学 艾滋病病毒 抑制剂 structure-activity relationship DFT PCA HCA
• 基金项目: The project was supported by the National Natural Science Foundation of China （No. 10574096）

Density functional theory (DFT) was used to calculate a set of molecular descriptors (properties) for 14 TIBO derivatives with anti-HIV activity. Principal component analysis (PCA) and hierarchical cluster analysis (HCA) were employed in order to reduce d