Next Article in Journal
Ni/Mn-Complex-Tethered Tetranuclear Polyoxovanadates: Crystal Structure and Inhibitory Activity on Human Hepatocellular Carcinoma (HepG-2)
Previous Article in Journal
Benzophenanthridine Alkaloid Chelerythrine Elicits Necroptosis of Gastric Cancer Cells via Selective Conjugation at the Redox Hyperreactive C-Terminal Sec498 Residue of Cytosolic Selenoprotein Thioredoxin Reductase
 
 
Search for Articles:
Title / Keyword
Author / Affiliation / Email
Journal
Article Type
 
 
Advanced Search
 
Section
Special Issue
Volume
Issue
Number
Page
 
Journals
Molecules
Volume 28
Issue 19
10.3390/molecules28196838
molecules-logo
Submit to this Journal Review for this Journal Propose a Special Issue
► Article Menu

Article Menu

share Share announcement Help format_quote Cite question_answer Discuss in SciProfiles
first_page
settings
Order Article Reprints
Font Type:
Arial Georgia Verdana
Font Size:
Aa Aa Aa
Line Spacing:
Column Width:
Background:
Article

In Vitro Affinity Maturation of Nanobodies against Mpox Virus A29 Protein Based on Computer-Aided Design

by
Haiyang Yu
1,2,†,
Guanchao Mao
2,†,
Zhipeng Pei
2,†,
Jinfeng Cen
2,
Wenqi Meng
2,
Yunqin Wang
2,
Shanshan Zhang
2,
Songling Li
2,
Qingqiang Xu
2,*,
Mingxue Sun
2,* and
Kai Xiao
2,3,*
1
School of Health Science and Engineering, University of Shanghai for Science and Technology, Shanghai 200093, China
2
Lab of Toxicology and Pharmacology, Faculty of Naval Medicine, Naval Medical University, Shanghai 200433, China
3
Marine Biomedical Science and Technology Innovation Platform of Lingang Special Area, Shanghai 201306, China
*
Authors to whom correspondence should be addressed.
†
These authors contributed equally to this work.
Molecules 2023, 28(19), 6838; https://doi.org/10.3390/molecules28196838
Submission received: 22 August 2023 / Revised: 20 September 2023 / Accepted: 25 September 2023 / Published: 28 September 2023
Browse Figures
Versions Notes

Abstract

Mpox virus (MPXV), the most pathogenic zoonotic orthopoxvirus, caused worldwide concern during the SARS-CoV-2 epidemic. Growing evidence suggests that the MPXV surface protein A29 could be a specific diagnostic marker for immunological detection. In this study, a fully synthetic phage display library was screened, revealing two nanobodies (A1 and H8) that specifically recognize A29. Subsequently, an in vitro affinity maturation strategy based on computer-aided design was proposed by building and docking the A29 and A1 three-dimensional structures. Ligand-receptor binding and molecular dynamics simulations were performed to predict binding modes and key residues. Three mutant antibodies were predicted using the platform, increasing the affinity by approximately 10-fold compared with the parental form. These results will facilitate the application of computers in antibody optimization and reduce the cost of antibody development; moreover, the predicted antibodies provide a reference for establishing an immunological response against MPXV.
Keywords: MPXV; A29 protein; nanobody; in vitro affinity maturation MPXV; A29 protein; nanobody; in vitro affinity maturation

Share and Cite

MDPI and ACS Style

Yu, H.; Mao, G.; Pei, Z.; Cen, J.; Meng, W.; Wang, Y.; Zhang, S.; Li, S.; Xu, Q.; Sun, M.; et al. In Vitro Affinity Maturation of Nanobodies against Mpox Virus A29 Protein Based on Computer-Aided Design. Molecules 2023, 28, 6838. https://doi.org/10.3390/molecules28196838

AMA Style

Yu H, Mao G, Pei Z, Cen J, Meng W, Wang Y, Zhang S, Li S, Xu Q, Sun M, et al. In Vitro Affinity Maturation of Nanobodies against Mpox Virus A29 Protein Based on Computer-Aided Design. Molecules. 2023; 28(19):6838. https://doi.org/10.3390/molecules28196838

Chicago/Turabian Style

Yu, Haiyang, Guanchao Mao, Zhipeng Pei, Jinfeng Cen, Wenqi Meng, Yunqin Wang, Shanshan Zhang, Songling Li, Qingqiang Xu, Mingxue Sun, and et al. 2023. "In Vitro Affinity Maturation of Nanobodies against Mpox Virus A29 Protein Based on Computer-Aided Design" Molecules 28, no. 19: 6838. https://doi.org/10.3390/molecules28196838

APA Style

Yu, H., Mao, G., Pei, Z., Cen, J., Meng, W., Wang, Y., Zhang, S., Li, S., Xu, Q., Sun, M., & Xiao, K. (2023). In Vitro Affinity Maturation of Nanobodies against Mpox Virus A29 Protein Based on Computer-Aided Design. Molecules, 28(19), 6838. https://doi.org/10.3390/molecules28196838

Article Metrics

Back to TopTop