Binding affinity between coronavirus spike protein and human ACE2 receptor

Shum，Marcus Ho Hin1,2,3; Lee，Yang2,4; Tam，Leighton2,3; Xia，Hui5,6; Chung，Oscar Lung Wa5; Guo，Zhihong6; Lam，Tommy Tsan Yuk1,2,3,4

2024-12-01

Binding affinity Coronavirus Human ACE2 Receptor use Spike protein

英语

Coronaviruses (CoVs) pose a major risk to global public health due to their ability to infect diverse animal species and potential for emergence in humans. The CoV spike protein mediates viral entry into the cell and plays a crucial role in determining the binding affinity to host cell receptors. With particular emphasis on α- and β-coronaviruses that infect humans and domestic animals, current research on CoV receptor use suggests that the exploitation of the angiotensin-converting enzyme 2 (ACE2) receptor poses a significant threat for viral emergence with pandemic potential. This review summarizes the approaches used to study binding interactions between CoV spike proteins and the human ACE2 (hACE2) receptor. Solid-phase enzyme immunoassays and cell binding assays allow qualitative assessment of binding but lack quantitative evaluation of affinity. Surface plasmon resonance, Bio-layer interferometry, and Microscale Thermophoresis on the other hand, provide accurate affinity measurement through equilibrium dissociation constants (K). In silico modeling predicts affinity through binding structure modeling, protein-protein docking simulations, and binding energy calculations but reveals inconsistent results due to the lack of a standardized approach. Machine learning and deep learning models utilize simulated and experimental protein-protein interaction data to elucidate the critical residues associated with CoV binding affinity to hACE2. Further optimization and standardization of existing approaches for studying binding affinity could aid pandemic preparedness. Specifically, prioritizing surveillance of CoVs that can bind to human receptors stands to mitigate the risk of zoonotic spillover.

10.1016/j.csbj.2024.01.009

Computational and Structural Biotechnology Journal

23

759-770

SCI

其他

2-s2.0-85184780903

Scopus

2001-0370

1.State Key Laboratory of Emerging Infectious Diseases,The University of Hong Kong,Hong Kong
2.School of Public Health,The University of Hong Kong,Hong Kong
3.Laboratory of Data Discovery for Health (D24H),Hong Kong Science Park,Hong Kong
4.Centre for Immunology and Infection (C2i),Hong Kong Science Park,Hong Kong
5.Department of Chemistry,South University of Science and Technology of China,China
6.Department of Chemistry,The Hong Kong University of Science and Technology,Clear Water Bay,Kowloon,Hong Kong

Shum，Marcus Ho Hin,Lee，Yang,Tam，Leighton,et al. Binding affinity between coronavirus spike protein and human ACE2 receptor. 2024-12-01.