Neuroprotective immunity by essential nutrient "Choline" for the prevention of SARS CoV2 infections: An in silico study by molecular dynamics approach

被引：15
作者：
Chowdhury, Papia [1 ]
Pathak, Pustak [2 ]
机构：
[1] Jaypee Inst Informat Technol, Dept Phys & Mat Sci & Engn, Noida 201309, Uttar Pradesh, India
[2] Vishwa Bharati Publ Sch, Sect 28, Noida 201301, Uttar Pradesh, India
来源：
CHEMICAL PHYSICS LETTERS | 2020年 / 761卷
关键词：
COVID-19; SARS-CoV2; 3CL(pro); Choline; RMSD; RMSF; CORONAVIRUSES; SCHIZOPHRENIA; OPTIMIZATION; PREGNANCY; CHLORIDE; DOCKING; GROMACS; PROTEIN; UPDATE; RISK;
D O I：
10.1016/j.cplett.2020.138057
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
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 3CL(pro) protease which may provide a lead for prenatal COVID-19 treatment.
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页数：10
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