论文标题
基本营养“胆碱”的神经保护免疫,以预防SARS COV2感染:通过分子动力学方法进行的计算机研究
Neuroprotective Immunity by Essential Nutrient "Choline" for the Prevention of SARS CoV2 Infections: An in Silico Study by Molecular Dynamics Approach
论文作者
论文摘要
产前共同感染是Covid-19疾病受影响最严重且受访者最少的方面之一。与其他冠状病毒一样,预计COV2感染会影响胎儿和胎盘的母体炎症反应。研究表明,母亲体内较高的产前胆碱水平可以保护胎儿的发展大脑免受COV2感染的不良反应。胆碱通常用作食物补充剂。通过虚拟筛选,分子对接和分子动力学技术,我们为SARS $ \ rm {3Cl^{pro}} $蛋白酶建立了强烈的抑制可能性,这可能为产前COVID-19治疗提供铅。
Prenatal COVID infection is one of the worst affected and least attended aspects of the COVID-19 disease. Like other coronaviruses, CoV2 infection is anticipated to affect fetal development by maternal inflammatory response on the fetus and placenta. Studies showed that higher prenatal choline level in mother's body can safeguard the developing brain of the fetus from the adverse effects of CoV2 infection. Choline is commonly used as food supplement. By virtual screening, molecular docking and molecular dynamics techniques, we have established a strong inhibitory possibility of choline for SARS $\rm{3CL^{pro}}$ protease which may provide a lead for prenatal COVID-19 treatment.