Modeling SARS-CoV-2 spike/ACE2 protein–protein interactions for predicting the binding affinity of new spike variants for ACE2, and novel ACE2 structurally related human protein targets, for COVID-19 handling in the 3PM context

被引：0
作者：
Vincenzo Tragni
Francesca Preziusi
Luna Laera
Angelo Onofrio
Ivan Mercurio
Simona Todisco
Mariateresa Volpicella
Anna De Grassi
Ciro Leonardo Pierri
机构：
[1] University of Bari,Department of Biosciences, Biotechnologies, Biopharmaceutics
[2] University of Basilicata,Department of Sciences
[3] University “Aldo Moro” of Bari,BROWSer S.r.l. at Department of Biosciences, Biotechnologies, Biopharmaceutics
来源：
EPMA Journal | 2022年 / 13卷
关键词：
Predictive, Preventive and personalized medicine (PPPM/3PM); COVID-19; SARS-CoV-2 spike variants; Angiotensin-converting enzyme II (ACE2); Modelling; In silico analysis; Predictive software; Protein–protein interaction; Interaction energies; Transmissibility and virulence prediction; Mutant localization; Receptor binding motif (RBM); Receptor binding domain (RBD); SARS-CoV-2 cell entry-factors; ACE2 structurally related proteins; Thimet oligopeptidase (THOP1); Neurolysin (NLN); Targeted therapy; Improved individual outcomes;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
页码：149 / 175
页数：26
相关论文
共 494 条
[1]  
Kupferschmidt Kai(2021)New SARS-CoV-2 variants have changed the pandemic. What will the virus do next? Science 373 6557-273
[2]  
Zhou P(2020)A pneumonia outbreak associated with a new coronavirus of probable bat origin Nature 579 270-D714
[3]  
Yang X-L(2021)GESS: a database of global evaluation of SARS-CoV-2/hCoV-19 sequences Nucleic Acids Res 49 D706-630
[4]  
Wang X-G(2021)Prediction and evolution of the molecular fitness of sars-cov-2 variants: Introducing SpikePro Viruses 13 935-1522
[5]  
Hu B(2021)Next generation sequencing of SARS-CoV-2 genomes: challenges, applications and opportunities Brief Bioinform 22 616-6
[6]  
Zhang L(2021)Protein structure analysis of the interactions between SARS-CoV-2 spike protein and the human ACE2 receptor: from conformational changes to novel neutralizing antibodies Cell Mol Life Sci 78 1501-208
[7]  
Zhang W(2020)SARS-CoV-2 spike protein: flexibility as a new target for fighting infection Signal Transduct Target Ther 5 4-224
[8]  
Fang S(2020)In situ structural analysis of SARS-CoV-2 spike reveals flexibility mediated by three hinges Science 370 203-1263
[9]  
Li K(2020)Structural basis of receptor recognition by SARS-CoV-2 Nature 581 221-412
[10]  
Shen J(2020)Cryo-EM structure of the 2019-nCoV spike in the prefusion conformation Science 367 1260-468
12345678910