Preparation and characterization of amoxapine- and naringin-loaded solid lipid nanoparticles: drug-release and molecular-docking studies - supplementary dataset

Aim: Amoxapine (AMX) has been reported to be metabolized by CYP3A4 and CYP2D6. Naringin (NG) has
been reported to inhibit CYP enzymes. Therefore, the current work was designed to develop AMX solid
lipid nanoparticles (AMX-SLNs) and NG-SLNs for better therapeutic performance. Materials & methods:
AMX-SLNs and NG-SLNs were prepared and characterized. AMX and NG interactions with CYP450s were studied with molecular docking to rationalize the effectiveness of the combination. Results: AMX-SLNs
and NG-SLNs showed nanometric size with a sustained in vitro drug-release profile. NG showed a higher
predicted binding affinity for CYP3A4 and CYP2D6, suggesting the potential for inhibition. Conclusion:
The developed formulations were thoroughly characterized along with molecular docking data indicating
promising AMX and NG combinations that may show good therapeutic activity.

目的：据报道，阿莫西平（AMX）被CYP3A4和CYP2D6代谢，而柚皮苷（NG）可抑制CYP酶。因此，本研究旨在开发AMX固体脂质纳米粒（AMX-SLNs）和NG-SLNs以提升其治疗性能。材料与方法：制备并表征了AMX-SLNs和NG-SLNs。通过分子对接研究了AMX和NG与CYP450s的相互作用，以阐释组合疗法的有效性。结果：AMX-SLNs和NG-SLNs表现出纳米级的粒径和持续的体外药物释放特性。NG对CYP3A4和CYP2D6的预测结合亲和力更高，提示其具有抑制潜力。结论：所开发的制剂已得到全面表征，分子对接数据表明，AMX和NG的联合应用具有潜在的治疗活性。