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Future Virology Volume 17, 2022 - Issue 5
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Editorial

Scope of Computational Biology and Bioinformatics Toward the Discovery of Potential Therapeutic Agents Against Viral Diseases

Sinosh Skariyachan1 Department of MicrobiologySt Pius X CollegeRajapuramKasaragodKerala671532IndiaCorrespondence[email protected] [email protected]
ORCID Iconhttps://orcid.org/0000-0003-0950-7513
ORCID Icon
Pages 257-260 | Received 01 Oct 2021, Accepted 10 Feb 2022, Published online: 22 Feb 2022

References

  • Kelleni MT . COVID-19, Ebola virus disease, and Nipah virus infection reclassification as novel acute immune dysrhythmia syndrome (n-AIDS): potential crucial role for immunomodulators. Immunol. Res., 69(5), 457–460 (2021).
  • Devnath P , MasudHMAA. Nipah virus: a potential pandemic agent in the context of the current severe acute respiratory syndrome coronavirus 2 pandemic. New Microbes New Infect., 41, 100873 (2021).
  • Santos AF , PóvoaP, PaixãoP, MendonçaA, Taborda-BarataL. Changes in glycolytic pathway in SARS-CoV-2 infection and their importance in understanding the severity of COVID-19. Front. Chem., 9, 685196 (2021).
  • Mohs RC , GreigNH. Drug discovery and development: role of basic biological research. Alzheimers Dement. (NY), 3(4), 651–657 (2017).
  • Xia X . Bioinformatics and drug discovery. Curr. Top. Med. Chem., 17(15), 1709–1726 (2021).
  • Paul D , SanapG, ShenoySet al. Artificial intelligence in drug discovery and development. Drug Discov. Today, 26(1), 80–93 (2021).
  • Chukwudozie OS , DuruVC, NdiribeCCet al. The relevance of bioinformatics applications in the discovery of vaccine candidates and potential drugs for COVID-19 treatment. Bioinform. Biol. Insights, 15, 11779322211002168 (2021).
  • Pappas N , RouxS, HölzerMet al. Virus bioinformatics. In: Encyclopedia of Virology.BamfordD, ZuckermanM ( Eds). Academic Press, USA124–132 (2021).
  • Gasteiger E , GattikerA, HooglandCet al. ExPASy: the proteomics server for in-depth protein knowledge and analysis. Nucleic Acids Res., 31(13), 3784–3788 (2003).
  • Zhulin IB . Databases for microbiologists. J. Bacteriol., 197(15), 2458–2467 (2015).
  • Deng H , JiaY, ZhangY. Protein structure prediction. Int. J. Mod. Phys. B, 32(18), 1840009 (2018).
  • Haddad Y , AdamV, HegerZ. Ten quick tips for homology modeling of high-resolution protein 3D structures. PLoS Comput. Biol., 16(4), e1007449 (2020).
  • Sorokina M , SteinbeckC. Review on natural products databases: where to find data in 2020. J. Cheminform., 12(1), 20. (2020).
  • de Souza Neto LR , Moreira-FilhoJT, NevesBJet al. In silico strategies to support fragment-to-lead optimization in drug discovery. Front. Chem., 8, 93. (2021).
  • Chen G , SeukepAJ, GuoM. Recent advances in molecular docking for the research and discovery of potential marine drugs. Mar. Drugs, 18(11), 545 (2020).
  • Genheden S , RydeU. The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities. Expert. Opin. Drug Discov., 10(5), 449–461 (2015).
  • Skariyachan S , GopalD, MuddebihalkarAGet al. Structural insights on the interaction potential of natural leads against major protein targets of SARS-CoV-2: molecular modelling, docking and dynamic simulation studies. Comput. Biol. Med., 132, 104325 (2021).
  • Skariyachan S , GopalD, ChakrabartiSet al. Structural and molecular basis of the interaction mechanism of selected drugs towards multiple targets of SARS-CoV-2 by molecular docking and dynamic simulation studies- deciphering the scope of repurposed drugs. Comput. Biol. Med., 126, 104054 (2020).
  • El Bakri Y , AnouarEH, AhmadSet al. Synthesis and identification of novel potential molecules against COVID-19 main protease through structure-guided virtual screening approach. Appl. Biochem. Biotechnol., 29, 1–22 (2021).
  • Al-Karmalawy AA , DahabMA, MetwalyAM. Molecular docking and dynamics simulation revealed the potential inhibitory activity of ACEIs against SARS-CoV-2 targeting the hACE2 receptor. Front. Chem., 9, 661230 (2021).
  • Bouback TA , PokhrelS, AlbeshriAet al. Pharmacophore-based virtual screening, quantum mechanics calculations, and molecular dynamics simulation approaches identified potential natural antiviral drug candidates against MERS-CoV S1-NTD. Molecules, 26(16), 4961 (2021).
  • Setlur AS , NaikSY, SkariyachanS. Herbal lead as ideal bioactive compounds against probable drug targets of Ebola virus in comparison with known chemical analogue: a computational drug discovery perspective. Interdiscip. Sci., 9(2), 254–277 (2017).
  • Mathew S , AlThani AA, YassineHM. Computational screening of known broad-spectrum antiviral small organic molecules for potential influenza HA stem inhibitors. PLoS ONE, 13(9), e0203148 (2018).

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