模型化研究药物小分子阻滞细胞周期

基于扩散动力学与细胞信号传导动力学，研究药物小分子对细胞周期的阻滞特性.理论模型考虑药物小分子穿越细胞膜输运的动力学特性，以及进入细胞内的药物分子对细胞周期的阻滞效应.研究发现，穿越细胞膜内层进入细胞内的药物分子，将会在很大程度上决定药物分子对相关的靶向基因、蛋白的阻滞功效.细胞膜对药物分子的输运特性，是影响药物分子阻滞细胞周期的关键因素.另外，药物分子的降解程度，将会改变药物分子与靶向基因、蛋白作用时间，进而改变对相关细胞生长增殖的抑制效应.通过对模型中各参数的敏感度分析，我们确认了药物分子穿越细胞膜、进入细胞内过程的多种因素对细胞周期的抑制效应.本文理论结果符合模拟、实验观测，进一步深刻揭示了药物小分子阻滞细胞周期的物理机制，可为设计确切的疗法药物提供必要的参考和新方案.

Modeling study of cell cycle arrest by small drug molecules

Based on diffusion kinetics and cell signal transduction kinetics, we studied the cell cycle arrest characteristics of small drug molecules. The theoretical model takes into account the dynamic characteristics of the transport of small drug molecules across the cell membrane and the blocking effect of drug molecules entering the cell on the cell cycle. We found that the drug molecules crossing the inner layer of the cell membrane and entering the cells will largely determine the blocking effect of drug molecules on related targeted genes and proteins. The transport characteristics of cell membrane to drug molecules are the key factors that affect drug molecules to block cell cycle. In addition, the degree of degradation of drug molecules will change the interaction time between drug molecules and targeted genes and proteins, thereby changing the inhibitory effect on the growth and proliferation of related cells. By the sensitivity analysis of the parameters in the model, we confirmed the inhibitory effect of many factors of the process of drug molecules passing through the cell membrane and entering the cell on the cell cycle. The theoretical results in this paper are consistent with the simulation and experimental observation, which further reveals the physical mechanism of drug small molecules blocking cell cycle, and can provide necessary references and new solutions for designing precise therapeutic drugs.