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Title: Defining neutralization and allostery by antibodies against COVID-19 variants
Authors: Tulsian, Nikhil Kumar 
Palur, Raghuvamsi Venkata
Qian, Xinlei 
Gu, Yue 
Shunmuganathan, Bhuvaneshwari 
Samsudin, Firdaus
Wong, Yee Hwa
Lin, Jianqing
Purushotorman, Kiren 
Kozma, Mary McQueen 
Wang, Bei
Lescar, Julien
Wang, Cheng-
Gupta, Ravindra Kumar
Bond, Peter John
MacAry, Paul Anthony 
Keywords: Science & Technology
Multidisciplinary Sciences
Science & Technology - Other Topics
Issue Date: 1-Nov-2023
Citation: Tulsian, Nikhil Kumar, Palur, Raghuvamsi Venkata, Qian, Xinlei, Gu, Yue, Shunmuganathan, Bhuvaneshwari, Samsudin, Firdaus, Wong, Yee Hwa, Lin, Jianqing, Purushotorman, Kiren, Kozma, Mary McQueen, Wang, Bei, Lescar, Julien, Wang, Cheng-, Gupta, Ravindra Kumar, Bond, Peter John, MacAry, Paul Anthony (2023-11-01). Defining neutralization and allostery by antibodies against COVID-19 variants. NATURE COMMUNICATIONS 14 (1). ScholarBank@NUS Repository.
Abstract: The changing landscape of SARS-CoV-2 Spike protein is linked to the emergence of variants, immune-escape and reduced efficacy of the existing repertoire of anti-viral antibodies. The functional activity of neutralizing antibodies is linked to their quaternary changes occurring as a result of antibody-Spike trimer interactions. Here, we reveal the conformational dynamics and allosteric perturbations linked to binding of novel human antibodies and the viral Spike protein. We identified epitope hotspots, and associated changes in Spike dynamics that distinguish weak, moderate and strong neutralizing antibodies. We show the impact of mutations in Wuhan-Hu-1, Delta, and Omicron variants on differences in the antibody-induced conformational changes in Spike and illustrate how these render certain antibodies ineffective. Antibodies with similar binding affinities may induce destabilizing or stabilizing allosteric effects on Spike, with implications for neutralization efficacy. Our results provide mechanistic insights into the functional modes and synergistic behavior of human antibodies against COVID-19 and may assist in designing effective antiviral strategies.
ISSN: 2041-1723
DOI: 10.1038/s41467-023-42408-x
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