Novel Binding Mechanisms of Fusion Broad Range Anti-Infective Protein Ricin A Chain Mutant-Pokeweed Antiviral Protein 1 (RTAM-PAP1) against SARS-CoV-2 Key Proteins in Silico

被引：4
作者：
Hassan, Yasser [1 ]
Ogg, Sherry [2 ]
Ge, Hui [3 ]
机构：
[1] Ophiuchus Med Inc, Vancouver, BC V6B 0M3, Canada
[2] Johns Hopkins Univ, Biotechnol, AAP, Baltimore, MD 21218 USA
[3] AscentGene Inc, Gaithersburg, MD 20878 USA
来源：
TOXINS | 2020年 / 12卷 / 09期
关键词：
fusion proteins; ricin; pokeweed antiviral protein; COVID-19; SARS-CoV-2; antiviral agent; ribosome-inactivating proteins; INHIBITION; VIRUS; REPLICATION; INFECTION; TOXICITY; DOCKING; TISSUE; VITRO; VIVO;
D O I：
10.3390/toxins12090602
中图分类号：
TS2 [食品工业];
学科分类号：
0832 ;
摘要：
The deadly pandemic named COVID-19, caused by a new coronavirus (SARS-CoV-2), emerged in 2019 and is still spreading globally at a dangerous pace. As of today, there are no proven vaccines, therapies, or even strategies to fight off this virus. Here, we describe the in silico docking results of a novel broad range anti-infective fusion protein RTAM-PAP1 against the various key proteins of SARS-CoV-2 using the latest protein-ligand docking software. RTAM-PAP1 was compared against the SARS-CoV-2 B38 antibody, ricin A chain, a pokeweed antiviral protein from leaves, and the lectin griffithsin using the special CoDockPP COVID-19 version. These experiments revealed novel binding mechanisms of RTAM-PAP1 with a high affinity to numerous SARS-CoV-2 key proteins. RTAM-PAP1 was further characterized in a preliminary toxicity study in mice and was found to be a potential therapeutic candidate. These findings might lead to the discovery of novel SARS-CoV-2 targets and therapeutic protein structures with outstanding functions.
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页数：10
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