Molecular Docking of Cocculus hirsutus Phytocompounds with the Selective DENV Virus Stereotypes

Year : 2023 | Volume :01 | Issue : 01 | Page : 17-29
By

Prabhuram K

Shubham Wanarase

  1. Student Department of Bioinformatics, Bionome Karnataka India
  2. Student Department of Bioinformatics, Bionome Karnataka India

Abstract

Dengue is a tropical disease with a high infection rate worldwide. Though treatments are available for the symptoms, anti-dengue drugs are unavailable. To tackle this issue, the study aims to shortlist the potential phytocompounds from Cocculus hirsutus medicinal plant, prevalent in South and South East Asia. Using molecular docking and ADME analysis, two potential compounds possessing high drug-likeness are identified namely, Sinococuline and Morphinan.

Keywords: DENV, NS1, anti-dengue, molecular docking

[This article belongs to International Journal of Genetic Modifications and Recombinations(ijgmr)]

How to cite this article: Prabhuram K, Shubham Wanarase. Molecular Docking of Cocculus hirsutus Phytocompounds with the Selective DENV Virus Stereotypes. International Journal of Genetic Modifications and Recombinations. 2023; 01(01):17-29.
How to cite this URL: Prabhuram K, Shubham Wanarase. Molecular Docking of Cocculus hirsutus Phytocompounds with the Selective DENV Virus Stereotypes. International Journal of Genetic Modifications and Recombinations. 2023; 01(01):17-29. Available from: https://journals.stmjournals.com/ijgmr/article=2023/view=111657

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References

  1. R. Glasner, H. Puerta-Guardo, P.R. Beatty, E. Harris, The good, the bad, and the shocking: The multiple roles of dengue virus nonstructural protein 1 in protection and pathogenesis, Annu. Rev. Virol. 5 (2018) 227–253. https://doi.org/10.1146/annurev-virology-101416-041848.
  2. Norazharuddin, N.S. Lai, Roles and prospects of dengue virus nonstructural proteins as antiviral targets: An easy digest, Malaysian J. Med. Sci. 25 (2018) 6–15. https://doi.org/10.21315/
    mjms2018.25.5.2.
  3. El Sahili, J. Lescar, Dengue virus non-structural protein 5, Viruses. 9 (2017) 1–20. https://doi.org/10.3390/v9040091.
  4. -H. Lin, A. Ali, L. Rusere, D.I. Soumana, N. Kurt Yilmaz, C.A. Schiffer, Dengue Virus NS2B/NS3 Protease Inhibitors Exploiting the Prime Side, J. Virol. 91 (2017) 1–10. https://doi.org/10.1128/jvi.00045-17.
  5. M. Silva, J.N. Conde, D. Allonso, G.T. Ventura, D.R. Coelho, P.H. Carneiro, M.L. Silva, M. V. Paes, K. Rabelo, G. Weissmuller, P.M. Bisch, R. Mohana-Borges, Dengue virus nonstructural 3 protein interacts directly with human glyceraldehyde-3-phosphate dehydrogenase (GAPDH) and reduces its glycolytic activity, Sci. Rep. 9 (2019) 1–19. https://doi.org/10.1038/s41598-019-
    39157-7.
  6. R. Chen, Y.C. Lai, T.M. Yeh, Dengue virus non-structural protein 1: A pathogenic factor, therapeutic target, and vaccine candidate, J. Biomed. Sci. 25 (2018) 1–11. https://doi.org/10.1186/
    s12929-018-0462-0.
  7. R. Ramirez, E. Ludert, crossm from Mosquito Cells in Association with the Intracellular Cholesterol Transporter Chaperone Caveolin Complex, 93 (2019) 1–25.
  8. C. Alcalá, F. Medina, A. González-Robles, L. Salazar-Villatoro, R.J. Fragoso-Soriano, C. Vásquez, M. Cervantes-Salazar, R.M. del Angel, J.E. Ludert, The dengue virus non-structural protein 1 (NS1) is secreted efficiently from infected mosquito cells, Virology. 488 (2016) 278–287. https://doi.org/10.1016/j.virol.2015.11.020.
  9. C. Torres, A.L. Martins Karl, M. Müller Pereira da Silva, L.E. Dardenne, A.M. Bispo de Filippis, In Silico Analysis of Dengue Virus Serotype 2 Mutations Detected at the Intrahost Level in Patients with Different Clinical Outcomes, Microbiol. Spectr. 9 (2021) 1–29. https://doi.org/10.1128/
    spectrum.00256-21.
  10. Activities, R. Logesh, N. Das, A. Adhikari-devkota, H.P. Devkota, A Review on Traditional Uses, Phytochemistry and, 8 (2019) 4–6.
  11. Shukla, R.K. Rajpoot, A. Poddar, R. Ahuja, H. Beesetti, R.K. Shanmugam, S. Chaturvedi, K. Nayyar, D. Singh, V. Singamaneni, P. Gupta, A.P. Gupta, S. Gairola, P. Kumar, Y.S. Bedi, T. Jain, B. Vashishta, R. Patil, H. Madan, S. Madan, R. Kalra, R. Sood, R.A. Vishwakarma, D.S. Reddy, A.A. Lal, U. Arora, N. Khanna, Cocculus hirsutus-Derived Phytopharmaceutical Drug Has Potent Anti-dengue Activity, Front. Microbiol. 12 (2021) 1–16. https://doi.org/10.3389/
    fmicb.2021.746110.
  12. Shukla, R. Ahuja, H. Beesetti, A. Garg, C. Aggarwal, S. Chaturvedi, K. Nayyar, U. Arora, A.A. Lal, N. Khanna, Sinococuline, a bioactive compound of Cocculus hirsutus has potent anti-dengue activity, Sci. Rep. 13 (2023) 1–13. https://doi.org/10.1038/s41598-023-27927-3.
  13. Daina, V. Zoete, A BOILED-Egg To Predict Gastrointestinal Absorption and Brain Penetration of Small Molecules, ChemMedChem. (2016) 1117–1121. https://doi.org/10.1002/cmdc.
    201600182.
  14. Daina, O. Michielin, V. Zoete, SwissADME: A free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules, Sci. Rep. 7 (2017) 1–13. https://doi.org/10.1038/srep42717.
  15. Alagarasu, J.A. Patil, M.B. Kakade, A.M. More, B. Yogesh, P. Newase, S.M. Jadhav, D. Parashar, H. Kaur, N. Gupta, N. Vijay, J. Narayan, P.S. Shah, D.A. Sharma, D.A. Jain, D.A. Bhargava, D.B. Anukumar, D.A. M, D.B. Malhotra, D.B.J. Borkakoty, D.D. Biswas, D.S. Jaryal, D.K.S. Dhingra, D.K. Kaveri, D.P.K. Khatri, D.M. Kumar, D.K. Nagamani, D.R. Dhodapkar, D.R. Bakshi, D.P.S. Gill, D.S. Pati, D.S. Dutta, D.S. G, D.U. Kalawat, D.D.A. Patel, D.P. Vijayachari, Serotype and genotype diversity of dengue viruses circulating in India: a multi-centre retrospective study involving the Virus Research Diagnostic Laboratory Network in 2018, Int. J. Infect. Dis. 111 (2021) 242–252. https://doi.org/10.1016/j.ijid.2021.08.045.
  16. C. Kao, W.C. HuangFu, T.T. Tsai, M.R. Ho, M.K. Jhan, T.J. Shen, P.C. Tseng, Y.T. Wang, C.F. Lin, The antiparasitic drug niclosamide inhibits dengue virus infection by interfering with endosomal acidification independent of mTOR, PLoS Negl. Trop. Dis. 12 (2018) 1–16. https://doi.org/10.1371/journal.pntd.0006715.
  17. K. Dar, S. Kumar, S. Maiti, S. Dhawan, S. Joglekar, U. Arora, R. Kalra, S. Madan, A.A. Lal, V. Singamaneni, P. Gupta, U. Nandi, D. Singh, A.H. Khuroo, Clinical safety and pharmacokinetic evaluation of aqueous extract of Cocculus hirsutus, an anti-viral phytopharmacetical drug as a potential for the treatment of dengue and COVID-19, Heliyon. 8 (2022) e09416. https://doi.org/10.1016/j.heliyon.2022.e09416.
Regular Issue Subscription Original Research
Volume 01
Issue 01
Received April 13, 2023
Accepted May 6, 2023
Published June 28, 2023
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