Chemical Physics Letters ( IF 2.8 ) Pub Date : 2020-10-03 , DOI: 10.1016/j.cplett.2020.138057 Papia Chowdhury 1 , Pustak Pathak 2
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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 3CLpro protease which may provide a lead for prenatal COVID-19 treatment.
中文翻译：
用于预防 SARS CoV2 感染的必需营养素“胆碱”的神经保护免疫：分子动力学方法的计算机研究
产前 COVID 感染是 COVID-19 疾病中受影响最严重和关注最少的方面之一。与其他冠状病毒一样，预计 CoV2 感染会通过母体对胎儿和胎盘的炎症反应影响胎儿发育。研究表明，母亲体内较高的产前胆碱水平可以保护胎儿发育中的大脑免受 CoV2 感染的不利影响。胆碱通常用作食品补充剂。通过虚拟筛选、分子对接和分子动力学技术，我们确定了胆碱对 SARS 3CL 蛋白酶的强烈抑制可能性，这可能为产前 COVID-19 治疗提供先导。
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