Immunoinformatics and molecular docking studies reveal potential epitope-based peptide vaccine against DENV-NS3 protein

被引：19

作者：

Tahir, Rana Adnan ^{[1
,2
]}

Wu, Hao ^{[3
]}

Rizwan, Muhammad Ahmad ^{[1
]}

Jafar, Tassadaq Hussain ^{[1
]}

Saleem, Shahzad ^{[1
]}

Sehgal, Sheikh Arslan ^{[1
,3
,4
]}

机构：

[1] COMSATS Univ Islamabad, Dept Biosci, Sahiwal Campus, Islamabad, Pakistan

[2] Beijing Inst Technol, Sch Life Sci, Dept Biomed Engn, Beijing Key Lab Separat & Anal Biomed & Pharmaceu, Beijing, Peoples R China

[3] Chinese Acad Sci, Inst Zool, State Key Lab Membrane Biol, Beijing, Peoples R China

[4] Univ Chinese Acad Sci, Beijing, Peoples R China

来源：

JOURNAL OF THEORETICAL BIOLOGY | 2018年 / 459卷

关键词：

Immunoinformatics; Dengue; NS3; Peptide design; Epitopes; Vaccine; MHC; CTL; FAST INTERACTION REFINEMENT; DENGUE VIRUS TYPE-2; ANTIGENIC DETERMINANTS; PREDICTION; PHARMACOINFORMATICS; SCHIZOPHRENIA; FLEXIBILITY; ANTIBODIES; FIREDOCK; REGIONS;

D O I：

10.1016/j.jtbi.2018.10.005

中图分类号：

Q [生物科学];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

Dengue, still a "Neglected Tropical Disease" is somehow injustice and remains uncontrolled globally. World Health Organization (2012-2020) reported that the world's half population is living in dengue-affected regions. Therefore, effective drug candidates or promising vaccines are urgently needed to control the dengue. It is an acute febrile disease caused by mosquito borne dengue viruses (DENVs) which belong to the genus Flavivirus with four serotypes. In present work, immunoinformatics approach was utilized to predict the antigenic epitopes of dengue proteins for the development of DENV vaccine. B-cell and cytotoxic T-lymphocyte epitopes were predicted for NS3 dengue protein. Docking complexes of 17 antigenic B-cell epitopes of various lengths and 4 CTL epitopes with antigenic sites were investigated followed by binding interaction analyses of top predicted peptides with MHC-I HLA-A2 molecule. These predicted epitopes with antigenic amino acids might present a preliminary set of peptides for future vaccine development against DENV. (C) 2018 Elsevier Ltd. All rights reserved.

引用

页码：162 / 170

页数：9

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