Novel 2019 coronavirus structure, mechanism of action, antiviral drug promises and rule out against its treatment

被引:344
作者
Boopathi, Subramanian [1 ]
Poma, Adolfo B. [2 ]
Kolandaivel, Ponmalai [3 ]
机构
[1] Univ Talca, Ctr Bioinformat & Simulac Mol CBSM, 1 Poniente 1141, Talca 3460000, Chile
[2] Polish Acad Sci, Inst Fundamental Technol Res, Dept Biosyst & Soft Matter, Pawinskiego 5B, PL-02106 Warsaw, Poland
[3] Periyar Univ, Salem, Tamil Nadu, India
关键词
Coronavirus; computational simulation; coronavirus Spike; ACE2; receptor; antiviral drugs; COVID-19; MAIN PROTEASE; ION CHANNELS; SARS; SPIKE; CHLOROQUINE; INHIBITORS; BINDING; DESIGN;
D O I
10.1080/07391102.2020.1758788
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
In the past two decades, the world has faced several infectious disease outbreaks. Ebola, Influenza A (H1N1), SARS, MERS, and Zika virus have had a massive global impact in terms of economic disruption, the strain on local and global public health. Most recently, the global outbreak of novel coronavirus 2019 (SARS-CoV-2) that causes COVID-19 is a newly discovered virus from the coronavirus family in Wuhan city, China, known to be a great threat to the public health systems. As of 15 April 2020, The Johns Hopkins University estimated that the COVID-19 affected more than two million people, resulting in a death toll above 130,000 around the world. Infected people in Europe and America correspond about 40% and 30% of the total reported cases respectively. At this moment only few Asian countries have controlled the disease, but a second wave of new infections is expected. Predicting inhibitor and target to the COVID-19 is an urgent need to protect human from the disease. Therefore, a protocol to identify anti-COVID-19 candidate based on computer-aided drug design is urgently needed. Thousands of compounds including approved drugs and drugs in the clinical trial are available in the literature. In practice, experimental techniques can measure the time and space average properties but they cannot be captured the structural variation of the COVID-19 during the interaction of inhibitor. Computer simulation is particularly suitable to complement experiments to elucidate conformational changes at the molecular level which are related to inhibition process of the COVID-19. Therefore, computational simulation is essential tool to elucidate the phenomenon. The structure-based virtual screening computational approach will be used to filter the best drugs from the literature, the investigate the structural variation of COVID-19 with the interaction of the best inhibitor is a fundamental step to design new drugs and vaccines which can combat the coronavirus. This mini-review will address novel coronavirus structure, mechanism of action, and trial test of antiviral drugs in the lab and patients with COVID-19.
引用
收藏
页码:3409 / 3418
页数:10
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