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刺突突变株网站:全球用于对抗 SARS-CoV-2 的资源

The Spike Mutants Website: A Worldwide Used Resource against SARS-CoV-2.

机构信息

Dipartimento di Scienze della Salute, Università Magna Græcia di Catanzaro, Campus "S. Venuta", Viale Europa, 88100 Catanzaro, Italy.

Net4Science Academic Spin-Off, Università Magna Graecia di Catanzaro, Campus "S. Venuta", Viale Europa, 88100 Catanzaro, Italy.

出版信息

Int J Mol Sci. 2022 Oct 28;23(21):13082. doi: 10.3390/ijms232113082.

Abstract

A large number of SARS-CoV-2 mutations in a short period of time has driven scientific research related to vaccines, new drugs, and antibodies to combat the new variants of the virus. Herein, we present a web portal containing the structural information, the tridimensional coordinates, and the molecular dynamics trajectories of the SARS-CoV-2 spike protein and its main variants. The Spike Mutants website can serve as a rapid online tool for investigating the impact of novel mutations on virus fitness. Taking into account the high variability of SARS-CoV-2, this application can help the scientific community when prioritizing molecules for experimental assays, thus, accelerating the identification of promising drug candidates for COVID-19 treatment. Below we describe the main features of the platform and illustrate the possible applications for speeding up the drug discovery process and hypothesize new effective strategies to overcome the recurrent mutations in SARS-CoV-2 genome.

摘要

在短时间内出现了大量的 SARS-CoV-2 突变,这推动了与疫苗、新药和抗体相关的科学研究,以对抗病毒的新变种。在此,我们呈现了一个包含 SARS-CoV-2 刺突蛋白及其主要变种的结构信息、三维坐标和分子动力学轨迹的网络门户。 Spike Mutants 网站可用作研究新型突变对病毒适应性影响的快速在线工具。考虑到 SARS-CoV-2 的高度变异性,该应用程序可以帮助科学界在优先选择用于实验检测的分子时,从而加速鉴定有希望的 COVID-19 治疗药物候选物。下面我们将描述该平台的主要功能,并举例说明如何加快药物发现过程,以及假设新的有效策略来克服 SARS-CoV-2 基因组中的反复突变。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/da14/9654198/e4b17957bc30/ijms-23-13082-g005.jpg

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