通过生物活性分子调控全身 XCT 拮抗剂的分子动态方法治疗缺血性中风

IF 1.9 4区化学 Q4 CHEMISTRY, PHYSICAL

Molecular Simulation Pub Date : 2024-01-05 DOI:10.1080/08927022.2023.2300422

Namrata Sangwan, Jitender Singh, Arushi Chauhan, Krishan L. Khanduja, Pramod K. Avti

引用次数: 0

摘要

异源二聚体氨基酸转运系统XCT通过促进L-胱氨酸和L-谷氨酸以1:1的比例输入/输出，在氧化还原平衡调节中发挥着至关重要的作用。将研究结果转化为...

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Molecular dynamic approach in the regulation of systemic XCT antiporter through biologically active molecules for ischemic stroke

The heterodimeric amino acid transporter systemic XCT plays a crucial role in redox balance regulation by facilitating L-cystine and L-glutamate import/export in a 1:1 ratio. Translating findings f...

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来源期刊

Molecular Simulation 化学-物理：原子、分子和化学物理

CiteScore

3.80

自引率

9.50%

发文量

128

审稿时长

3.1 months

期刊介绍： Molecular Simulation covers all aspects of research related to, or of importance to, molecular modelling and simulation. Molecular Simulation brings together the most significant papers concerned with applications of simulation methods, and original contributions to the development of simulation methodology from biology, biochemistry, chemistry, engineering, materials science, medicine and physics. The aim is to provide a forum in which cross fertilization between application areas, methodologies, disciplines, as well as academic and industrial researchers can take place and new developments can be encouraged. Molecular Simulation is of interest to all researchers using or developing simulation methods based on statistical mechanics/quantum mechanics. This includes molecular dynamics (MD, AIMD), Monte Carlo, ab initio methods related to simulation, multiscale and coarse graining methods.