In-Silico Studies of Phytochemicals from Allium sativum with H5N1 Protein in Avian Influenza

Year : 2024 | Volume : 02 | Issue : 02 | Page : 50 60
    By

    Avineet Singh,

  1. Student, Center for Computational Biology and Bioinformatics, Amity Institute of Biotechnology, Amity University, Noida, Uttar Pradesh, India

Abstract

Allium sativum or garlic is a medicinal plant that is reported for its applications in many biological activities, such as its antiviral, antidiabetic, and anti-inflammatory properties, etc. In this paper, the focus has been the identification of potential phytochemicals that can be extracted from Allium sativum that can act as a candidate for drug formation that possesses the capability to inhibit the H5N1 Avian Influenza, a type of highly pathogenic and zoonotic strain that poses a major threat to the public health sector. Using the tools provided in the in-silico studies, screening of the 145 phytochemicals from Allium sativum is done against the two major H5N1 proteins, that is, Hemagglutinin and Neuraminidase. The docking results provided along with the result that many compounds have stable interaction with a high binding affinity towards Neuraminidase and Hemagglutinin throughout the stimulation time. These results suggest that phytochemicals from Allium sativum can be promising candidates for the development of therapeutic agents against the H5N1 virus.

Keywords: Docking, H5N1, HPAI, garlic, Schrödinger, Allium sativum

[This article belongs to International Journal of Bioinformatics and Computational Biology ]

How to cite this article:
Avineet Singh. In-Silico Studies of Phytochemicals from Allium sativum with H5N1 Protein in Avian Influenza. International Journal of Bioinformatics and Computational Biology. 2024; 02(02):50-60.
How to cite this URL:
Avineet Singh. In-Silico Studies of Phytochemicals from Allium sativum with H5N1 Protein in Avian Influenza. International Journal of Bioinformatics and Computational Biology. 2024; 02(02):50-60. Available from: https://journals.stmjournals.com/ijbcb/article=2024/view=191250


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References

  1. Lycett SJ, Duchatel F, Digard P. A brief history of bird flu. Phil Trans Royal Soc B. 2019;374(1775):20180257.
  2. Blagodatski A, Trutneva K, Glazova O, Mityaeva O, Shevkova L, Kegeles E, et al. Avian influenza in wild birds and poultry: dissemination pathways, monitoring methods, and virus ecology. Pathogens. 2021;10(5):630.
  3. Sendor AB, Weerasuriya D, Sapra A. Avian Influenza. Treasure Island, FL: StatPearls; 2022.
  4. Prinzi A, Rohde RE. Avian influenza: past, present, future. Am Soc Microbiol. 2022;5:2022.
  5. Kenney SP. Highly pathogenic avian influenza. Vet Prev Med. 2022.
  6. Centers for Disease Control and Prevention. Emergence and Evolution of H5N1 Bird Flu. Available at
  7. de Jong MD, Hien TT. Avian influenza A (H5N1). J Clin Virol. 2006;35(1):2–13. doi: https://doi.org/10.1016/j.jcv.2005.09.002
  8. Hanson A, Imai M, Hatta M, McBride R, Imai H, Taft A, et al. Identification of stabilizing mutations in an H5 hemagglutinin influenza virus protein. J Virol. 2016;90(6):2981–92. doi: https://doi.org/10.1128/jvi.02790-15
  9. McAuley JL, Gilbertson BP, Trifkovic S, Brown LE, McKimm-Breschkin JL. Influenza virus neuraminidase structure and functions. Front Microbiol. 2019;10:39.
  10. Moghadami M. A narrative review of influenza: a seasonal and pandemic disease. Iran J Med Sci. 2017;42(1):2.
  11. Rouf R, Uddin SJ, Sarker DK, Islam MT, Ali ES, Shilpi JA, et al. Antiviral potential of garlic (Allium sativum) and its organosulfur compounds: a systematic update of pre-clinical and clinical data. Trend Food Sci Tech. 2020;104:219–34. doi: https://doi.org/10.1016/j.tifs.2020.08.006
  12. Srivastava V, Yadav A, Sarkar P. Molecular docking and ADMET study of bioactive compounds of Glycyrrhiza glabra against main protease of SARS-CoV2. Mat Today Proceed. 2020;49:2999–3007. doi: https://doi.org/10.1016/j.matpr.2020.10.055
  13. Subbanna S, Basalingappa KM, Maheshwari MS, Gururaj HB, Gopenath TS. In silico analysis of Allium sativum bioactive compounds against effector protein from Pseudomonas syringae pisi. J Pure Appl Microbiol. 2022;16(1):327–36. doi: https://doi.org/10.22207/JPAM.16.1.22
  14. Boktor SW, Hafner JW. Influenza. Treasure Island, FL: StatPearls Publishing; 2024.
  15. Olugbogi E, Arobadade O, Balogun S, Akingbola H, Adelakun O, Popoola T, et al. Application of in-silico methodologies in exploring the antagonistic potential of Trigonella foenum-graecum on cyclooxygenase-2 (Cox-2) in cancer treatment. IPS J Mol Dock Simul. 2023;2(1):26–36.
  16. Mandal B, Singh A, Dhingra C, Bansal H, Santoshi S. Computational studies of phytochemicals from Allium sativum with H7N9 subtype in avian influenza. In: International Conference on Emergent Converging Technologies and Biomedical Systems. Singapore: Springer Nature Singapore; 2023. pp. 419–32.
  17. Bhojwani HR, Joshi UJ. Homology modelling, docking-based virtual screening, ADME properties, and molecular dynamics simulation for identification of probable type II inhibitors of AXL kinase. Lett Drug Des Discov. 2022;19(3):214–41.
  18. Abbasi M, Sadeghi-Aliabadi H. An in-silico screening strategy to the prediction of new inhibitors of COVID-19 Mpro protein. Iran J Pharm Res. 2021;20(4):125.
Regular Issue Subscription Original Research
Volume 02
Issue 02
Received 15/11/2024
Accepted 26/11/2024
Published 28/12/2024
187

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