Skip to main content
Top
Published in: Journal of Translational Medicine 1/2018

Open Access 01-12-2018 | Research

Peptide vaccine against chikungunya virus: immuno-informatics combined with molecular docking approach

Authors: Muhammad Tahir ul Qamar, Amna Bari, Muhammad Muzammal Adeel, Arooma Maryam, Usman Ali Ashfaq, Xiaoyong Du, Iqra Muneer, Hafiz Ishfaq Ahmad, Jia Wang

Published in: Journal of Translational Medicine | Issue 1/2018

Login to get access

Abstract

Background

Chikungunya virus (CHIKV), causes massive outbreaks of chikungunya infection in several regions of Asia, Africa and Central/South America. Being positive sense RNA virus, CHIKV replication within the host resulting in its genome mutation and led to difficulties in creation of vaccine, drugs and treatment strategies. Vector control strategy has been a gold standard to combat spreading of CHIKV infection, but to eradicate a species from the face of earth is not an easy task. Therefore, alongside vector control, there is a dire need to prevent the infection through vaccine as well as through antiviral strategies.

Methods

This study was designed to find out conserved B cell and T cell epitopes of CHIKV structural proteins through immuno-informatics and computational approaches, which may play an important role in evoking the immune responses against CHIKV.

Results

Several conserved cytotoxic T-lymphocyte epitopes, linear and conformational B cell epitopes were predicted for CHIKV structural polyprotein and their antigenicity was calculated. Among B-cell epitopes “PPFGAGRPGQFGDI” showed a high antigenicity score and it may be highly immunogenic. In case of T cell epitopes, MHC class I peptides ‘TAECKDKNL’ and MHC class II peptides ‘VRYKCNCGG’ were found extremely antigenic.

Conclusion

The study led to the discovery of various epitopes, conserved among various strains belonging to different countries. The potential antigenic epitopes can be successfully utilized in designing novel vaccines for combating and eradication of CHIKV disease.
Appendix
Available only for authorised users
Literature
1.
go back to reference Naqvi S, Bashir S, Rupareliya C, Shams A, Giyanwani PR, Ali Z, Qamar F, Kumar V, Talib V. Clinical spectrum of chikungunya in Pakistan. Cureus. 2017;9:e1430.PubMedPubMedCentral Naqvi S, Bashir S, Rupareliya C, Shams A, Giyanwani PR, Ali Z, Qamar F, Kumar V, Talib V. Clinical spectrum of chikungunya in Pakistan. Cureus. 2017;9:e1430.PubMedPubMedCentral
2.
go back to reference Sourisseau M, Schilte C, Casartelli N, Trouillet C, Guivel-Benhassine F, Rudnicka D, Sol-Foulon N, Le Roux K, Prevost M-C, Fsihi H. Characterization of reemerging chikungunya virus. PLoS Pathog. 2007;3:e89.CrossRef Sourisseau M, Schilte C, Casartelli N, Trouillet C, Guivel-Benhassine F, Rudnicka D, Sol-Foulon N, Le Roux K, Prevost M-C, Fsihi H. Characterization of reemerging chikungunya virus. PLoS Pathog. 2007;3:e89.CrossRef
3.
go back to reference Ozden S, Huerre M, Riviere J-P, Coffey LL, Afonso PV, Mouly V, De Monredon J, Roger J-C, El Amrani M, Yvin J-L. Human muscle satellite cells as targets of chikungunya virus infection. PLoS ONE. 2007;2:e527.CrossRef Ozden S, Huerre M, Riviere J-P, Coffey LL, Afonso PV, Mouly V, De Monredon J, Roger J-C, El Amrani M, Yvin J-L. Human muscle satellite cells as targets of chikungunya virus infection. PLoS ONE. 2007;2:e527.CrossRef
4.
go back to reference Borgherini G, Poubeau P, Jossaume A, Gouix A, Cotte L, Michault A, Arvin-Berod C, Paganin F. Persistent arthralgia associated with chikungunya virus: a study of 88 adult patients on reunion island. Clin Infect Dis. 2008;47:469–75.CrossRef Borgherini G, Poubeau P, Jossaume A, Gouix A, Cotte L, Michault A, Arvin-Berod C, Paganin F. Persistent arthralgia associated with chikungunya virus: a study of 88 adult patients on reunion island. Clin Infect Dis. 2008;47:469–75.CrossRef
5.
go back to reference Borgherini G, Poubeau P, Staikowsky F, Lory M, Moullec NL, Becquart JP, Wengling C, Michault A, Paganin F. Outbreak of chikungunya on Reunion Island: early clinical and laboratory features in 157 adult patients. Clin Infect Dis. 2007;44:1401–7.CrossRef Borgherini G, Poubeau P, Staikowsky F, Lory M, Moullec NL, Becquart JP, Wengling C, Michault A, Paganin F. Outbreak of chikungunya on Reunion Island: early clinical and laboratory features in 157 adult patients. Clin Infect Dis. 2007;44:1401–7.CrossRef
6.
go back to reference Fourie E, Morrison J. Rheumatoid arthritic syndrome after chikungunya fever. S Afr Med J. 1979;56:130–2.PubMed Fourie E, Morrison J. Rheumatoid arthritic syndrome after chikungunya fever. S Afr Med J. 1979;56:130–2.PubMed
7.
go back to reference Volpe A, Angheben A, Marchetta A, Caramaschi P, Biasi D, Carletto A, Marocco S, Monteiro G, Bambara L, Arcaro G. Artropatia da chikungunya: descrizione di 6 casi. Reumatismo. 2008;60:136–40.PubMed Volpe A, Angheben A, Marchetta A, Caramaschi P, Biasi D, Carletto A, Marocco S, Monteiro G, Bambara L, Arcaro G. Artropatia da chikungunya: descrizione di 6 casi. Reumatismo. 2008;60:136–40.PubMed
8.
go back to reference Powers AM, Logue CH. Changing patterns of chikungunya virus: re-emergence of a zoonotic arbovirus. J Gen Virol. 2007;88:2363–77.CrossRef Powers AM, Logue CH. Changing patterns of chikungunya virus: re-emergence of a zoonotic arbovirus. J Gen Virol. 2007;88:2363–77.CrossRef
9.
go back to reference AbuBakar S, Sam I-C, Wong P-F, MatRahim N, Hooi P-S, Roslan N. Reemergence of endemic chikungunya, Malaysia. Emerg Infect Dis. 2007;13:147.CrossRef AbuBakar S, Sam I-C, Wong P-F, MatRahim N, Hooi P-S, Roslan N. Reemergence of endemic chikungunya, Malaysia. Emerg Infect Dis. 2007;13:147.CrossRef
10.
go back to reference Hasan MA, Khan MA, Datta A, Mazumder MHH, Hossain MU. A comprehensive immunoinformatics and target site study revealed the corner-stone toward chikungunya virus treatment. Mol Immunol. 2015;65:189–204.CrossRef Hasan MA, Khan MA, Datta A, Mazumder MHH, Hossain MU. A comprehensive immunoinformatics and target site study revealed the corner-stone toward chikungunya virus treatment. Mol Immunol. 2015;65:189–204.CrossRef
11.
go back to reference Lindenbach BD, Rice CM. Molecular biology of flaviviruses. Adv Virus Res. 2003;59:23–61.CrossRef Lindenbach BD, Rice CM. Molecular biology of flaviviruses. Adv Virus Res. 2003;59:23–61.CrossRef
12.
go back to reference Rubach JK, Wasik BR, Rupp JC, Kuhn RJ, Hardy RW, Smith JL. Characterization of purified Sindbis virus nsP4 RNA-dependent RNA polymerase activity in vitro. Virology. 2009;384:201–8.CrossRef Rubach JK, Wasik BR, Rupp JC, Kuhn RJ, Hardy RW, Smith JL. Characterization of purified Sindbis virus nsP4 RNA-dependent RNA polymerase activity in vitro. Virology. 2009;384:201–8.CrossRef
13.
go back to reference Delang L, Segura Guerrero N, Tas A, Quérat G, Pastorino B, Froeyen M, Dallmeier K, Jochmans D, Herdewijn P, Bello F. Mutations in the chikungunya virus non-structural proteins cause resistance to favipiravir (T-705), a broad-spectrum antiviral. J Antimicrob Chemother. 2014;69:2770–84.CrossRef Delang L, Segura Guerrero N, Tas A, Quérat G, Pastorino B, Froeyen M, Dallmeier K, Jochmans D, Herdewijn P, Bello F. Mutations in the chikungunya virus non-structural proteins cause resistance to favipiravir (T-705), a broad-spectrum antiviral. J Antimicrob Chemother. 2014;69:2770–84.CrossRef
14.
go back to reference Magden J, Kääriäinen L, Ahola T. Inhibitors of virus replication: recent developments and prospects. Appl Microbiol Biotechnol. 2005;66:612–21.CrossRef Magden J, Kääriäinen L, Ahola T. Inhibitors of virus replication: recent developments and prospects. Appl Microbiol Biotechnol. 2005;66:612–21.CrossRef
15.
go back to reference Brandler S, Ruffié C, Combredet C, Brault J-B, Najburg V, Prevost M-C, Habel A, Tauber E, Desprès P, Tangy F. A recombinant measles vaccine expressing chikungunya virus-like particles is strongly immunogenic and protects mice from lethal challenge with chikungunya virus. Vaccine. 2013;31:3718–25.CrossRef Brandler S, Ruffié C, Combredet C, Brault J-B, Najburg V, Prevost M-C, Habel A, Tauber E, Desprès P, Tangy F. A recombinant measles vaccine expressing chikungunya virus-like particles is strongly immunogenic and protects mice from lethal challenge with chikungunya virus. Vaccine. 2013;31:3718–25.CrossRef
16.
go back to reference Wang D, Suhrbier A, Penn-Nicholson A, Woraratanadharm J, Gardner J, Luo M, Le TT, Anraku I, Sakalian M, Einfeld D. A complex adenovirus vaccine against chikungunya virus provides complete protection against viraemia and arthritis. Vaccine. 2011;29:2803–9.CrossRef Wang D, Suhrbier A, Penn-Nicholson A, Woraratanadharm J, Gardner J, Luo M, Le TT, Anraku I, Sakalian M, Einfeld D. A complex adenovirus vaccine against chikungunya virus provides complete protection against viraemia and arthritis. Vaccine. 2011;29:2803–9.CrossRef
17.
go back to reference Chattopadhyay A, Wang E, Seymour R, Weaver SC, Rose JK. A chimeric vesiculo/alphavirus is an effective alphavirus vaccine. J Virol. 2013;87:395–402.CrossRef Chattopadhyay A, Wang E, Seymour R, Weaver SC, Rose JK. A chimeric vesiculo/alphavirus is an effective alphavirus vaccine. J Virol. 2013;87:395–402.CrossRef
18.
go back to reference Idrees S, Ashfaq UA. Structural analysis and epitope prediction of HCV E1 protein isolated in Pakistan: an in silico approach. Virol J. 2013;10:113.CrossRef Idrees S, Ashfaq UA. Structural analysis and epitope prediction of HCV E1 protein isolated in Pakistan: an in silico approach. Virol J. 2013;10:113.CrossRef
19.
go back to reference Ashfaq UA, Ahmed B. De novo structural modeling and conserved epitopes prediction of zika virus envelop protein for vaccine development. Viral Immunol. 2016;29:436–43.CrossRef Ashfaq UA, Ahmed B. De novo structural modeling and conserved epitopes prediction of zika virus envelop protein for vaccine development. Viral Immunol. 2016;29:436–43.CrossRef
20.
go back to reference Gasteiger E, Hoogland C, Gattiker A, Duvaud S, Wilkins MR, Appel RD, Bairoch A. Protein identification and analysis tools on the ExPASy server. Berlin: Springer; 2005.CrossRef Gasteiger E, Hoogland C, Gattiker A, Duvaud S, Wilkins MR, Appel RD, Bairoch A. Protein identification and analysis tools on the ExPASy server. Berlin: Springer; 2005.CrossRef
21.
go back to reference Buchan DW, Minneci F, Nugent TC, Bryson K, Jones DT. Scalable web services for the PSIPRED Protein Analysis Workbench. Nucleic Acids Res. 2013;41:W349–57.CrossRef Buchan DW, Minneci F, Nugent TC, Bryson K, Jones DT. Scalable web services for the PSIPRED Protein Analysis Workbench. Nucleic Acids Res. 2013;41:W349–57.CrossRef
22.
go back to reference Krogh A, Larsson B, Von Heijne G, Sonnhammer EL. Predicting transmembrane protein topology with a hidden Markov model: application to complete genomes. J Mol Biol. 2001;305:567–80.CrossRef Krogh A, Larsson B, Von Heijne G, Sonnhammer EL. Predicting transmembrane protein topology with a hidden Markov model: application to complete genomes. J Mol Biol. 2001;305:567–80.CrossRef
23.
go back to reference Larsen JE, Lund O, Nielsen M. Improved method for predicting linear B-cell epitopes. Immunome Res. 2006;2:2.CrossRef Larsen JE, Lund O, Nielsen M. Improved method for predicting linear B-cell epitopes. Immunome Res. 2006;2:2.CrossRef
24.
go back to reference EL-Manzalawy Y, Dobbs D, Honavar V. Predicting linear B-cell epitopes using string kernels. J Mol Recog. 2008;21:243–55.CrossRef EL-Manzalawy Y, Dobbs D, Honavar V. Predicting linear B-cell epitopes using string kernels. J Mol Recog. 2008;21:243–55.CrossRef
25.
go back to reference Marzi A, Yoshida R, Miyamoto H, Ishijima M, Suzuki Y, Higuchi M, Matsuyama Y, Igarashi M, Nakayama E, Kuroda M. Protective efficacy of neutralizing monoclonal antibodies in a nonhuman primate model of Ebola hemorrhagic fever. PLoS ONE. 2012;7:e36192.CrossRef Marzi A, Yoshida R, Miyamoto H, Ishijima M, Suzuki Y, Higuchi M, Matsuyama Y, Igarashi M, Nakayama E, Kuroda M. Protective efficacy of neutralizing monoclonal antibodies in a nonhuman primate model of Ebola hemorrhagic fever. PLoS ONE. 2012;7:e36192.CrossRef
26.
go back to reference Fieser TM, Tainer JA, Geysen HM, Houghten RA, Lerner RA. Influence of protein flexibility and peptide conformation on reactivity of monoclonal anti-peptide antibodies with a protein alpha-helix. Proc Natl Acad Sci. 1987;84:8568–72.CrossRef Fieser TM, Tainer JA, Geysen HM, Houghten RA, Lerner RA. Influence of protein flexibility and peptide conformation on reactivity of monoclonal anti-peptide antibodies with a protein alpha-helix. Proc Natl Acad Sci. 1987;84:8568–72.CrossRef
27.
go back to reference Koehl P, Levitt M. Structure-based conformational preferences of amino acids. Proc Natl Acad Sci. 1999;96:12524–9.CrossRef Koehl P, Levitt M. Structure-based conformational preferences of amino acids. Proc Natl Acad Sci. 1999;96:12524–9.CrossRef
28.
go back to reference Ferrè F, Clote P. DiANNA: a web server for disulfide connectivity prediction. Nucleic Acids Res. 2005;33:W230–2.CrossRef Ferrè F, Clote P. DiANNA: a web server for disulfide connectivity prediction. Nucleic Acids Res. 2005;33:W230–2.CrossRef
29.
go back to reference Maupetit J, Derreumaux P, Tuffery P. PEP-FOLD: an online resource for de novo peptide structure prediction. Nucleic Acids Res. 2009;37:W498–503.CrossRef Maupetit J, Derreumaux P, Tuffery P. PEP-FOLD: an online resource for de novo peptide structure prediction. Nucleic Acids Res. 2009;37:W498–503.CrossRef
30.
go back to reference Ul Qamar MT, Kiran S, Ashfaq UA. Discovery of novel dengue NS2B/NS3 protease inhibitors using pharmacophore modeling and molecular docking based virtual screening of the zinc database. Int J Pharmacol. 2016;12:621–32.CrossRef Ul Qamar MT, Kiran S, Ashfaq UA. Discovery of novel dengue NS2B/NS3 protease inhibitors using pharmacophore modeling and molecular docking based virtual screening of the zinc database. Int J Pharmacol. 2016;12:621–32.CrossRef
31.
go back to reference Ul Qamar MT, Mumtaz A, Ashfaq UA, Adeel MM, Fatima T. Potential of plant alkaloids as dengue ns3 protease inhibitors: molecular docking and simulation approach. Bangladesh J Pharmacol. 2014;9:262–7.CrossRef Ul Qamar MT, Mumtaz A, Ashfaq UA, Adeel MM, Fatima T. Potential of plant alkaloids as dengue ns3 protease inhibitors: molecular docking and simulation approach. Bangladesh J Pharmacol. 2014;9:262–7.CrossRef
32.
go back to reference Qamar MT, Mumtaz A, Rabbia N, Fatima T, Jabbar T. Molecular docking based screening of plant flavonoids as dengue NS1 inhibitors. Bioinformation. 2014;10:460.CrossRef Qamar MT, Mumtaz A, Rabbia N, Fatima T, Jabbar T. Molecular docking based screening of plant flavonoids as dengue NS1 inhibitors. Bioinformation. 2014;10:460.CrossRef
33.
go back to reference Lengauer T, Rarey M. Computational methods for biomolecular docking. Curr Opin Struct Biol. 1996;6:402–6.CrossRef Lengauer T, Rarey M. Computational methods for biomolecular docking. Curr Opin Struct Biol. 1996;6:402–6.CrossRef
34.
go back to reference DeLano WL. The PyMOL molecular graphics system. San Carlos: DeLano Scientific; 2002. DeLano WL. The PyMOL molecular graphics system. San Carlos: DeLano Scientific; 2002.
35.
go back to reference Groot ASD, Rappuoli R. Genome-derived vaccines. Expert Rev Vaccines. 2004;3:59–76.CrossRef Groot ASD, Rappuoli R. Genome-derived vaccines. Expert Rev Vaccines. 2004;3:59–76.CrossRef
36.
go back to reference Florea L, Halldorsson B, Kohlbacher O, Schwartz R, Hoffman S, Istrail S. Epitope prediction algorithms for peptide-based vaccine design. In: Bioinformatics conference, 2003 CSB 2003 proceedings of the 2003 IEEE. IEEE; 2003. pp. 17–26. Florea L, Halldorsson B, Kohlbacher O, Schwartz R, Hoffman S, Istrail S. Epitope prediction algorithms for peptide-based vaccine design. In: Bioinformatics conference, 2003 CSB 2003 proceedings of the 2003 IEEE. IEEE; 2003. pp. 17–26.
37.
go back to reference Backert L, Kohlbacher O. Immunoinformatics and epitope prediction in the age of genomic medicine. Genome Med. 2015;7:119.CrossRef Backert L, Kohlbacher O. Immunoinformatics and epitope prediction in the age of genomic medicine. Genome Med. 2015;7:119.CrossRef
38.
go back to reference Mahajan A, Rawat AS, Bhatt N, Chauhan MK. Structural modification of proteins and peptides. Indian J Pharm Educ Res. 2014;48:34–47.CrossRef Mahajan A, Rawat AS, Bhatt N, Chauhan MK. Structural modification of proteins and peptides. Indian J Pharm Educ Res. 2014;48:34–47.CrossRef
Metadata
Title
Peptide vaccine against chikungunya virus: immuno-informatics combined with molecular docking approach
Authors
Muhammad Tahir ul Qamar
Amna Bari
Muhammad Muzammal Adeel
Arooma Maryam
Usman Ali Ashfaq
Xiaoyong Du
Iqra Muneer
Hafiz Ishfaq Ahmad
Jia Wang
Publication date
01-12-2018
Publisher
BioMed Central
Published in
Journal of Translational Medicine / Issue 1/2018
Electronic ISSN: 1479-5876
DOI
https://doi.org/10.1186/s12967-018-1672-7

Other articles of this Issue 1/2018

Journal of Translational Medicine 1/2018 Go to the issue