The distribution of drugs could not be controlled in the conventional delivery systems. This has led to the developing of a specific nanoparticle-based delivery system, called smart drug delivery systems. In cancer therapy, innovative biocompatible nanocarriers have received much attention for various ranges of anti-cancer drugs. In this work, the effect of an interesting and novel copolymer named "dimethyl acrylamide-trimethyl chitosan" was investigated on delivery of paclitaxel and doxorubicin applying carboxylated fullerene nanohybrid. The current study was run via molecular dynamics simulation and quantum calculations based on the acidic pH differences between cancerous microenvironment and normal tissues. Furthermore, hydrogen bonds, radius of gyration, and nanoparticle interaction energies were studied here. Stimulatingly, a simultaneous pH and temperature-responsive system were proposed for paclitaxel and doxorubicin for a co-polymer. A pH-responsive and thermal responsive copolymer were utilized based on trimethyl chitosan and dimethyl acrylamide, respectively. In such a dualistic approach, co-polymer makes an excellent system to possess two simultaneous properties in one bio-polymer. The simulation results proposed dramatic and indisputable effects of the copolymer in the release of drugs in cancerous tissues, as well as increased biocompatibility and drug uptake in healthy tissues. Repeated simulations of a similar article performed for the validation test. The results are very close to those of the reference paper. Overall, conjugated modified fullerene and dimethyl acrylamide-trimethyl chitosan (DMAA-TMC) as nanohybrid can be an appropriate proposition for drug loading, drug delivery, and drug release on dual responsive smart drug delivery system.

中文翻译：

---

用于同时递送阿霉素和紫杉醇的新型 pH 响应纳米杂化物：计算机模拟见解


传统的输送系统无法控制药物的分布。这导致了一种特定的基于纳米颗粒的输送系统的开发，称为智能药物输送系统。在癌症治疗中，创新的生物相容性纳米载体因各种抗癌药物而受到广泛关注。在这项工作中，研究了一种名为“二甲基丙烯酰胺-三甲基壳聚糖”的有趣且新颖的共聚物对应用羧化富勒烯纳米杂化物递送紫杉醇和阿霉素的影响。目前的研究是基于癌性微环境和正常组织之间的酸性 pH 差异，通过分子动力学模拟和量子计算进行的。此外，还研究了氢键、回转半径和纳米颗粒相互作用能。令人兴奋的是，有人提出了紫杉醇和阿霉素共聚物的同步 pH 和温度响应系统。分别使用基于三甲基壳聚糖和二甲基丙烯酰胺的 pH 响应型和热响应型共聚物。在这种二元方法中，共聚物形成了一种优秀的系统，可以在一种生物聚合物中同时拥有两种特性。模拟结果表明，该共聚物对癌组织中药物的释放以及健康组织中生物相容性和药物摄取的增加具有显着且无可争议的作用。对类似文章进行重复模拟以进行验证测试。结果与参考论文的结果非常接近。总体而言，共轭修饰富勒烯和二甲基丙烯酰胺-三甲基壳聚糖（DMAA-TMC）作为纳米杂化物可以成为双响应智能药物递送系统上药物装载、药物递送和药物释放的合适方案。