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Computational identification of antibody epitopes of human papillomavirus 16 (HPV16) L1 proteins

文献类型：期刊论文

作者Tan, Xin2,3; Liu, Na1,4; Legge, Fiona S.5; Yang, Minghui1; Zeng, Jun5
刊名JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY
出版日期2018-03-01
卷号17期号:2
关键词Computational Epitope Design Multiple Copy Simultaneous Search Vaccines Antibody-antigen Recognition
ISSN号0219-6336
DOI10.1142/S0219633618500177
文献子类Article
英文摘要Previously, we developed a method to predict epitopes on a protein recognized by specific antibodies. In this study, we have applied this method to identify the epitopes of the human papillomavirus 16 (HPV16) L1 capsomer that is bound by monoclonal antibodies U4, AE3 and AG7. Initially, the method was validated by the identification of epitopes of HPV16 L1 capsomer that bind to antibody U4. Our predicted epitopes were in agreement with the cryto-electron microscopy (cryto-EM) structure of the complex. The method was then used to predict the epitopes of HPV16 L1 binding of antibodies AE3 and AG7. Our calculations indicated that antibody AE3 binds to the HPV16 L1 capsomer at two different regions. Firstly, the region recognized by antibody U4 and secondly, the region recognized by antibody V5, which have been shown in the cryto-EM structure of the V5 and HPV16 L1 complex. In comparison, the antibody AG7 binds to the capsomer only at the epitopes bound by antibody U4. Therefore, antibody AE3 is predicted to have higher affinity than antibody AG7 and could be used for developing highly effcient anti-HPV monoclonal antibodies in the clinical treatment of HPV infections.
WOS关键词SWISS-MODEL ; CRYOELECTRON MICROSCOPY ; BINDING ; INHIBITORS ; DESIGN ; VIRUS ; NEUTRALIZATION ; MECHANISMS ; DYNAMICS ; FRAGMENT
WOS研究方向Chemistry
语种英语
WOS记录号WOS:000429814500006
出版者WORLD SCIENTIFIC PUBL CO PTE LTD
资助机构National Natural Science Foundation of China(21773297 ; National Natural Science Foundation of China(21773297 ; 21773298) ; 21773298) ; National Natural Science Foundation of China(21773297 ; National Natural Science Foundation of China(21773297 ; 21773298) ; 21773298) ; National Natural Science Foundation of China(21773297 ; National Natural Science Foundation of China(21773297 ; 21773298) ; 21773298) ; National Natural Science Foundation of China(21773297 ; National Natural Science Foundation of China(21773297 ; 21773298) ; 21773298)
源URL[http://ir.wipm.ac.cn/handle/112942/12934]  
专题中国科学院武汉物理与数学研究所
通讯作者Zeng, Jun
作者单位1.Chinese Acad Sci, Wuhan Inst Phys & Math, Natl Ctr Magnet Resonance & Atom & Mol Phys, Key Lab Magnet Resonance Biol Syst, Wuhan 430071, Peoples R China
2.West China Second Univ Hosp, Dept Obstet & Gynecol, Chengdu 610041, Peoples R China
3.Sichuan Univ, Minist Educ, Key Lab Birth Defects & Related Dis Women & Child, Chengdu 610041, Peoples R China
4.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
5.MedChemSoft Solut, Wheelers Hill, Vic 3150, Australia
推荐引用方式
GB/T 7714		 Tan, Xin,Liu, Na,Legge, Fiona S.,et al. Computational identification of antibody epitopes of human papillomavirus 16 (HPV16) L1 proteins[J]. JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY,2018,17(2).
APA Tan, Xin,Liu, Na,Legge, Fiona S.,Yang, Minghui,&Zeng, Jun.(2018).Computational identification of antibody epitopes of human papillomavirus 16 (HPV16) L1 proteins.JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY,17(2).
MLA Tan, Xin,et al."Computational identification of antibody epitopes of human papillomavirus 16 (HPV16) L1 proteins".JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 17.2(2018).

入库方式： OAI收割

来源：武汉物理与数学研究所

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