[25Mg2+]卟啉-富勒烯纳米颗粒药代动力学研究的计算机算法优化

IF 0.2 Q4 MEDICINE, GENERAL & INTERNAL

Bulletin of Russian State Medical University Pub Date : 2022-07-01 DOI:10.24075/brsmu.2022.037

V. Fursov, DI Zinchenko, DD Namestnikova, DA Kuznetsov

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引用次数: 0

摘要

寻找有效的药物载体来治疗缺血性中风是由发病率和高死亡率的条件沉淀。通过使用最新的计算平台进行数学建模来优化有前途的神经保护剂的临床前情景是一项明确而紧迫的任务。本研究旨在建立以常微分方程组为代表的药物导向模型，利用MATLAB研究25Mg2+释放卟啉-富勒烯纳米二氧化硅PMC16的药代动力学，并利用体内大鼠模型调整计算模型的充充性。开发的五室模型预测纳米颗粒在器官和组织(如大脑、心脏和肝脏)中的分布，以优化实验参数。计算机生成的药代动力学曲线与在体大鼠缺血性脑卒中模型数据吻合较好。计算机和体内实验结果表明，PMC16纳米颗粒可以有效地穿过血脑屏障。

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In silico algorithm for optimization of pharmacokinetic studies of [25Mg2+]porphyrin-fullerene nanoparticles

The search for effective pharmacophores to treat ischemic stroke is precipitated by the prevalence and high mortality of the condition. Optimization of preclinical scenarios for promising neuroprotectants by mathematical modeling using up-to-date computational platforms is a well-defined and urgent task. This study aimed to develop a drug-oriented model represented by an ordinary differential equation system to study pharmacokinetics of 25Mg2+-releasing porphyrin-fullerene nanocationite PMC16 in silico using MATLAB and adjust computating model's adequatness using in vivo rat model. The developed five-compartment model predicts the distribution of nanoparticles in organs and tissues (e.g. the brain, the heart and the liver) for the purpose of experimental parameters optimization. The in silico produced pharmacokinetic curves show good agreement with the data obtained using in vivo rat model of ischemic stroke. The in silico and in vivo results indicate that PMC16 nanoparticles effectively cross the blood-brain barrier.

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来源期刊

Bulletin of Russian State Medical University MEDICINE, GENERAL & INTERNAL-

CiteScore

0.80

自引率

0.00%

发文量

期刊介绍： Bulletin of Russian State Medical University (Bulletin of RSMU, ISSN Print 2500–1094, ISSN Online 2542–1204) is a peer-reviewed medical journal of Pirogov Russian National Research Medical University (Moscow, Russia). The original language of the journal is Russian (Vestnik Rossiyskogo Gosudarstvennogo Meditsinskogo Universiteta, Vestnik RGMU, ISSN Print 2070–7320, ISSN Online 2070–7339). Founded in 1994, it is issued once every two months publishing articles on clinical medicine and medical and biological sciences, first of all oncology, neurobiology, allergy and immunology, medical genetics, medical microbiology and infectious diseases. Every issue is thematic. Deadlines for manuscript submission are announced in advance. The number of publications on topics in spite of the issue topic is limited. The journal accepts only original articles submitted by their authors, including articles that present methods and techniques, clinical cases and opinions. Authors must guarantee that their work has not been previously published elsewhere in whole or in part and in other languages and is not under consideration by another scientific journal. The journal publishes only one review per issue; the review is ordered by the editors.