Department of Chemistry, Sharif University of Technology , Tehran 1113658639, Iran.
Department of Molecular Medicine, "Sapienza" University of Rome , Rome 00185, Italy.
ACS Nano. 2016 Mar 22;10(3):3723-37. doi: 10.1021/acsnano.6b00261. Epub 2016 Feb 23.
To control liposomes fate and transport upon contact with biofluids, it is essential to consider several parameters affecting the synthetic and biological identity of liposomes, as well as liposome-protein corona (PC) aspects. As a powerful tool in this data mining adventure, quantitative structure-activity relationship (QSAR) approach is used to correlate physicochemical properties of liposomes and their PC fingerprints to multiple quantified biological responses. In the present study, the relationship between cellular interactions of a set of structurally diverse liposomal formulations and their physicochemical and PC properties has been investigated via linear and nonlinear QSAR models. Significant parameters affecting cellular uptake and cell viability of liposomes in two important cancer cell lines (PC3 and HeLa) have been identified. The developed QSARs have the capacity to be implemented in advanced targeted delivery of liposomal drugs.
为了控制脂质体与生物流体接触后的命运和传输，必须考虑几个影响脂质体合成和生物学特性的参数，以及脂质体-蛋白冠（PC）方面。作为这项数据挖掘冒险的有力工具，定量构效关系（QSAR）方法用于将脂质体的理化性质及其 PC 指纹与多种量化的生物学反应相关联。在本研究中，通过线性和非线性 QSAR 模型研究了一组结构多样的脂质体制剂的细胞相互作用与其理化性质和 PC 特性之间的关系。确定了影响两种重要癌细胞系（PC3 和 HeLa）中脂质体摄取和细胞活力的显著参数。所开发的 QSAR 具有在脂质体药物的先进靶向递送上实施的能力。
