当前位置: X-MOL 学术Microb. Pathog. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
An evidence of microalgal peptides to target spike protein of COVID-19: In silico approach
Microbial Pathogenesis ( IF 3.3 ) Pub Date : 2021-09-13 , DOI: 10.1016/j.micpath.2021.105189
Davoodbasha MubarakAli 1 , Jaulikar MohamedSaalis 2 , Raghunathan Sathya 2 , Navabshan Irfan 3 , Jung-Wan Kim 4
Affiliation  

The outbreak of the novel coronavirus (COVID-19) has affected millions of lives and it is one of the deadliest viruses ever known and the effort to find a cure for COVID-19 has been very high. The purpose of the study was to investigate the anti-COVID effect from the peptides derived from microalgae. The peptides from microalgae exhibit antimicrobial, anti-allergic, anti-hypersensitive, anti-tumor and immune-modulatory properties. In the In silico study, 13 cyanobacterial specific peptides were retrieved based on the extensive literature survey and their structures were predicted using Discovery Studios Visualizer. The spike protein of the novel COVID19 was retrieved from PDB (6LU7) and further molecular docking was done with the peptides through CDOCKER. The five peptides were bound clearly to the spike protein (SP) and their inhibitory effect towards the SP was promising among 13 peptides were investigated. Interestingly, LDAVNR derived from S.maxima have excellent binding and interaction energy showed −113.456 kcal/mol and −71.0736 kcal/mol respectively to target SP of COVID. The further investigation required for the in vitro confirmation of anti-COVID from indigenous microalgal species for the possible remedy in the pandemic.



中文翻译:

微藻肽靶向 COVID-19 刺突蛋白的证据:计算机模拟方法

新型冠状病毒 (COVID-19) 的爆发影响了数百万人的生命,它是迄今为止已知的最致命的病毒之一,人们为寻找治愈 COVID-19 的方法付出了巨大的努力。该研究的目的是研究微藻肽的COVID 作用。来自微藻的肽具有抗菌、抗过敏、抗过敏、抗肿瘤和免疫调节特性。在计算机中研究,基于广泛的文献调查检索了 13 种蓝藻特异性肽,并使用 Discovery Studios Visualizer 预测了它们的结构。从 PDB (6LU7) 中检索到新型 COVID19 的刺突蛋白,并通过 CDOCKER 与肽进行进一步的分子对接。这五种肽与刺突蛋白 (SP) 明显结合,并且在研究了 13 种肽中它们对 SP 的抑制作用是有希望的。有趣的是,源自S.maxima 的LDAVNR具有出色的结合和相互作用能,分别显示 -113.456 kcal/mol 和 -71.0736 kcal/mol 靶向 COVID 的 SP。体外确认所需的进一步调查-来自本土微藻物种的 COVID 可能是大流行病的补救措施。

更新日期:2021-09-17
down
wechat
bug