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病毒感染的热力学洞察2:SARS、MERS和SARS-CoV-2(新冠病毒)的经验公式、分子组成和热力学性质

Thermodynamic insight into viral infections 2: empirical formulas, molecular compositions and thermodynamic properties of SARS, MERS and SARS-CoV-2 (COVID-19) viruses.

作者信息

Popovic Marko, Minceva Mirjana

机构信息

Biothermodynamics, TUM School of Life Sciences Weihenstephan, Technical University of Munich, Maximus-von-Imhof-Forum 2, 85354, Freising, Germany.

出版信息

Heliyon. 2020 Sep;6(9):e04943. doi: 10.1016/j.heliyon.2020.e04943. Epub 2020 Sep 14.

Abstract

The current situation with the SARS-CoV-2 pandemic indicates the importance of new approaches in vaccine design. In order to design new attenuated vaccines, to decrease virulence of virus wild types, it is important to understand what allows a virus to hijack its host cell's metabolism, a property of all viruses. RNA and protein sequences obtained from databases were used to count the number of atoms of each element in the virions of SARS, MERS and SARS-CoV-2. The number of protein copies and carbohydrate composition were taken from the literature. The number of lipid molecules was estimated from the envelope surface area. Based on elemental composition, growth equations were balanced, and thermodynamic properties of the viruses were determined using Patel-Erickson and Battley equations. Elemental and molecular compositions of SARS, MERS and SARS-CoV-2 were found, as well as their standard thermodynamic properties of formation and growth. Standard Gibbs energy of growth of virus nucleocapsids was found to be significantly more negative than that of their host tissue. The ratio of Gibbs energies of growth of virus nucleocapsids and host cell is greater than unity. The more negative Gibbs energy of growth of viruses implies that virus multiplication has a greater driving force than synthesis of host cell components, giving a physical explanation of why viruses are able to hijack their host cell's metabolism. Knowing the mechanism of viral metabolism hijacking can open new paths for vaccine design. By manipulating chemical composition of viruses, virulence can be decreased by making the Gibbs energy of their growth less negative, resulting in decreased multiplication rate, while preserving antigenic properties.

摘要

严重急性呼吸综合征冠状病毒2(SARS-CoV-2)大流行的现状表明了疫苗设计新方法的重要性。为了设计新的减毒疫苗以降低病毒野生型的毒力,了解病毒如何劫持宿主细胞的代谢(这是所有病毒的特性)至关重要。从数据库中获取的RNA和蛋白质序列被用于计算SARS、中东呼吸综合征(MERS)和SARS-CoV-2病毒粒子中每种元素的原子数。蛋白质拷贝数和碳水化合物组成取自文献。脂质分子的数量根据包膜表面积估算。基于元素组成,平衡生长方程,并使用帕特尔-埃里克森(Patel-Erickson)和巴特利(Battley)方程确定病毒的热力学性质。发现了SARS、MERS和SARS-CoV-2的元素和分子组成,以及它们形成和生长的标准热力学性质。发现病毒核衣壳生长的标准吉布斯自由能比其宿主组织的标准吉布斯自由能明显更负。病毒核衣壳与宿主细胞生长的吉布斯自由能之比大于1。病毒生长的吉布斯自由能越负,意味着病毒繁殖比宿主细胞成分合成具有更大的驱动力,这从物理角度解释了病毒为何能够劫持宿主细胞的代谢。了解病毒代谢劫持机制可为疫苗设计开辟新途径。通过操纵病毒的化学成分,可通过使病毒生长的吉布斯自由能负值减小来降低毒力,从而降低繁殖率,同时保留抗原特性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ee07/7502342/7689e1337a91/gr1.jpg

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