Skip to main content

Computational Analysis and Predicting Ligand Binding Site in the Rose leaf curl virus and Its Betasatellite Proteins: A Step Forward for Antiviral Agent Designing

  • Chapter
  • First Online:
Begomoviruses: Occurrence and Management in Asia and Africa

Abstract

Computational approach was done in protein molecules of the Rose leaf curl virus and its betasatellite component isolated from Rose plants. Moreover in-depth study was done using in silico approach such as restriction map, GC profile and prediction of binding sites for ligand molecule analysis. Hence, an approach has been taken into consideration to unearth a treatment against geminiviruses, resulting in huge yield loss across the globe. This study provides a great deal of novel knowledge and will be employed for the selection of inhibitors in opposition to geminivirus proteins focusing on begomovirus and paves a way for developing antiviral agents in the near future.

This is a preview of subscription content, log in via an institution to check access.

Access this chapter

Chapter
USD 29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD 84.99
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 109.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book
USD 109.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Institutional subscriptions

References

  • Aloy P, Russell RB (2004) Ten thousand interactions for the molecular biologist. Nat Biotechnol 22:1317–1321

    Article  CAS  PubMed  Google Scholar 

  • Bairoch A (2000) The ENZYME database in (2000). Nucleic Acids Res 28:304–305

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  • Balakrishnan M, Srivastava RC, Pokhriyal M (2010) Homology modeling and docking studies between HIV-1 protease and carbamic acid. Indian J Biotechnol 9:96–100

    CAS  Google Scholar 

  • Cimermancic P, Weinkam P, Rettenmaier TJ, Bichmann L, Keedy DA, Woldeyes RA, Schneidman-Duhovny D, Demerdash ON, Mitchell JC, Wells JA, Fraser JS, Sali A (2016) CryptoSite: expanding the druggable proteome by characterization and prediction of cryptic binding sites. J Mol Biol 428:709–719

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  • Gao F, Zhang C (2006) GC-profile: a web-based tool for visualizing and analyzing the variation of GC content in genomic sequences. Nucleic Acids Res 34:W686–W691

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  • Groisman EA, Ochman H (1996) Pathogenicity islands: bacterial evolution in quantum leaps. Cell 87:791–794

    Article  CAS  PubMed  Google Scholar 

  • Hacker J, Carniel E (2001) Ecological fitness, genomic islands and bacterial pathogenicity: a Darwinian view of the evolution of microbes. EMBO Rep 2:376–381

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  • Hannum G et al (2009) Genome-wide association data reveal a global map of genetic interactions among protein complexes. PLoS Genet 5:e1000782

    Article  PubMed  PubMed Central  Google Scholar 

  • Heinrichs A (2008) Proteomics: solving a 3D jigsaw puzzle. Nat Rev Mol Cell Biol 9:3–3

    Article  CAS  Google Scholar 

  • Hentschel U, Hacker J (2001) Pathogenicity islands: the tip of the iceberg. Microbes Infect 3:545–548

    Article  CAS  PubMed  Google Scholar 

  • Ilyas M, Nawaz K, Shafiq M, Haider MS, Shahid AA (2013) Complete nucleotide sequences of two begomoviruses infecting Madagascar periwinkle (Catharanthus roseus) from Pakistan. Arch Virol 158:505–510

    Article  CAS  PubMed  Google Scholar 

  • Ivashchenko A, Pyrkova A, Niyazova R, Alybayeva A, Baskakov K (2016) Prediction of miRNA binding sites in mRNA. Bioinformation 12(4):237–240

    Article  Google Scholar 

  • Källberg M, Wang H, Wang S, Peng J, Wang Z, Lu H, Xu J (2012) Template-based protein structure modeling using the RaptorX web server. Nat Protoc 7:1511–1522

    Article  PubMed  PubMed Central  Google Scholar 

  • Koonin EV, Makarova KS, Aravind L (2001) Horizontal gene transfer in prokaryotes: quantification and classification. Annu Rev Microbiol 55:709–742

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  • Lima AT, Sobrinho RR, González-Aguilera J, Rocha CS, Silva SJ, Xavier CA, Silva FN, Duffy S, Zerbini FM (2013) Synonymous site variation due to recombination explains higher genetic variability in begomovirus populations infecting non-cultivated hosts. J Gen Virol 94:418–431

    Article  CAS  PubMed  Google Scholar 

  • Mansoor S, Briddon RW, Zafar Y, Stanley J (2003) Geminivirus disease complexes: an emerging threat. Trends Plant Sci 8:128–134

    Article  CAS  PubMed  Google Scholar 

  • Marwal A, Sahu AK, Choudhary DK, Gaur RK (2013a) Complete nucleotide sequence of a begomovirus associated with satellites molecules infecting a new host Tagetes patula in India. Virus Genes 47(1):194–198

    Article  CAS  PubMed  Google Scholar 

  • Marwal A, Sahu A, Sharma P, Gaur RK (2013b) Molecular characterizations of two Begomoviruses infecting Vinca rosea and Raphanus sativus in India. Virol Sin 28(1):053–056

    Article  Google Scholar 

  • Marwal A, Sahu A, Gaur RK (2013c) First report of airborne begomovirus infection in Melia azedarach (Pride of India), an ornamental tree in India. Aerobiologia. doi:10.1007/s10453-013-9319-x

  • Marwal A, Sahu A, Gaur RK (2013d) Molecular characterization of begomoviruses and DNA satellites associated with a new host Spanish Flag (Lantana camara) in India. ISRN Virol. doi:10.5402/2013/915703

  • Perez A, Morrone JA, Simmerling C, Dill KA (2016) Advances in free-energy-based simulations of protein folding and ligand binding. Curr Opin Struct Biol 36:25–31

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  • Pingoud A, Jeltsch A (2001) Structure and function of type II restriction endonucleases. Nucleic Acids Res 29:3705–3727

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  • Qin W, Zhao G, Carson M, Jia C, Lu H (2016) Knowledge-based three-body potential for transcription factor binding site prediction. IET Syst Biol 10(1):23–29

    Article  PubMed  Google Scholar 

  • Raj SK, Khan MS, Snehi SK, Kumar S, Khan AA (2007) Natural occurrence of a Begomovirus on Dimorphotheca sinuate in India. Aust Plant Dis Notes 2:25–26

    Article  CAS  Google Scholar 

  • Roberts RJ, Vincze T, Posfai J, Macelis (2003) REBASE—restriction enzymes and methyltransferases. Nucleic Acids Res 31:418–420

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  • Russell RB, Alber F, Aloy P, Davis FP, Korkin D, Pichaud M, Topf M, Sali A (2004) A structural perspective on protein-protein interactions. Curr Opin Struct Biol 14:313–324

    Article  CAS  PubMed  Google Scholar 

  • Salwinski L, Eisenberg D (2003) Computational methods of analysis of protein-protein interactions. Curr Opin Struct Biol 13:377–382

    Article  CAS  PubMed  Google Scholar 

  • Shin WH, Bures MG, Kihara D (2016) PatchSurfers: two methods for local molecular property-based binding ligand prediction. Methods 93:41–50

    Article  CAS  PubMed  Google Scholar 

  • Szilagyi A, Grimm V, Arakaki AK, Skolnick J (2005) Prediction of physical protein-protein interactions. Phys Biol 2:S1–16

    Article  CAS  PubMed  Google Scholar 

  • Taherzadeh G, Yang Y, Zhang LAWC, Zhou Y (2016) Sequence-based prediction of protein–peptide binding sites using support vector machine. J Comput Chem. doi:10.1002/jcc.24314

  • Urbino C, Gutiérrez S, Antolik A, Bouazza N, Doumayrou J, Granier M, Martin DP, Peterschmitt M (2013) Within-host dynamics of the emergence of tomato yellow leaf curl virus recombinants. PLoS One 8:e58375. doi:10.1371/journal.pone.0058375

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  • Vincze T, Posfai J, Roberts RJ (2003) NEBcutter: a program to cleave DNA with restriction enzymes. Nucleic Acids Res 31:3688–3691

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  • Wass MN, Kelley LA, Sternberg MJE (2010) 3DLigandSite: predicting ligand-binding sites using similar structures. Nucleic Acids Res 38:W469–W473

    Article  CAS  PubMed  PubMed Central  Google Scholar 

Download references

Acknowledgements

The authors are thankful to Science and Engineering Research Board – Department of Science and Technology, New Delhi, India, for the financial assistance (File No. YSS/2015/000265) and also to University Grant Commission, New Delhi for providing financial assistantship under Research Award for Teacher (F.30-1/2014/RA-2014-16-GE-RAJ-4696 (SA-II).

Author information

Authors and Affiliations

Authors

Corresponding author

Correspondence to R. K. Gaur .

Editor information

Editors and Affiliations

Rights and permissions

Reprints and permissions

Copyright information

© 2017 Springer Nature Singapore Pte Ltd.

About this chapter

Cite this chapter

Marwal, A., Mishra, M., Sekhsaria, C., Gaur, R.K. (2017). Computational Analysis and Predicting Ligand Binding Site in the Rose leaf curl virus and Its Betasatellite Proteins: A Step Forward for Antiviral Agent Designing. In: Saxena, S., Tiwari, A. (eds) Begomoviruses: Occurrence and Management in Asia and Africa. Springer, Singapore. https://doi.org/10.1007/978-981-10-5984-1_9

Download citation

Publish with us

Policies and ethics