作为氯喹药物递送系统的氮化硼纳米笼，氯喹是治疗冠状病毒病的有效药物：一项密度泛函理论研究。
Boron nitride nanocage as drug delivery systems for chloroquine, as an effective drug for treatment of coronavirus disease: A DFT study.
作者信息
Alharthy Khalid M, Fadhil Alsaffar Marwa, Althurwi Hassan N, Albaqami Faisal F, Reidh Abass Russul, Majid Alawi Aisha, Salah Jalal Sarah, Tabassum Shazia, Zhang Hao, Peng Wang
机构信息
Pharmacology and Toxicology Department, College of Pharmacy, Prince Sattam bin Abdulaziz University, AlKharj 11942, Saudi Arabia.
Medical Laboratories Techniques Department, AL-Mustaqbal University College, 51001 Hillah, Babil, Iraq.
出版信息
Inorg Chem Commun. 2023 Apr;150:110482. doi: 10.1016/j.inoche.2023.110482. Epub 2023 Feb 6.
Research has shown that chloroquine (CQ) can effectively help control COVID-19 infection. BN nanocage is a drug delivery system. Thus, through density functional theory, the present study analyzed pristine nanocage-CQ interaction and CQ interaction with Si- and Al -doped nanocage. The findings revealed that nanocage doping, particularly with Si and Al, yields more satisfactory drug delivery for CQ due to their greater electronic and energetic characteristics with CQ.
研究表明，氯喹（CQ）可有效帮助控制新冠病毒感染。硼氮纳米笼是一种药物递送系统。因此，本研究通过密度泛函理论分析了原始纳米笼与CQ的相互作用以及CQ与硅和铝掺杂纳米笼的相互作用。研究结果表明，纳米笼掺杂，尤其是硅和铝掺杂，由于它们与CQ具有更大的电子和能量特性，可为CQ带来更理想的药物递送效果。
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