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On topological analysis of astragaloside IV drug using network construction and module detection

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Abstract

Topological indices are frequently used in the analysis of different chemical or molecular compounds including drugs. This paper mainly deals with the computation of degree based topological indices of the drug Astragaloside IV and the construction of a network of the indices. The main objective is to detect the subnetworks of the network with highly connected links called modules and the master regulator in that module. This approach would help the researchers to investigate the physio-chemical characteristics of Astragaloside IV based on the master regulatory index in the module where a master regulator index is an index that is at very top of a regulatory hierarchy in a module and is not influenced by any other index.

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References

  1. Y. Ruan, Y. Guo, Y. Zheng, Z. Huang, S. Sun, P. Kowal, F. Wu, Cardiovascular disease (CVD) and associated risk factors among older adults in six low-and middle income countries: results from SAGE Wave 1. BMC Public Health 18(1), 778–792 (2018)

    Article  Google Scholar 

  2. P. Nie, F. Meng, J. Zhang,X. Wei, C. Shen, Astragaloside IV exerts a myocardial protective effect against cardiac hypertrophy in rats, partially via activating the Nrf2/HO-1 signaling pathway. Oxid. Med. Cell. Longev. 18, 462–475 (2019)

  3. Y.-Q. Tan, H.-W. Chen, J.J.D.D. Li, Astragaloside IV: an effective drug for the treatment of cardiovascular diseases. Dev. Therapy 14, 37–51 (2020)

    Google Scholar 

  4. L. Li, X. Hou, R. Xu, C. Liu, M. Tu, Research review on the pharmacological effects of astragaloside IV. Fundam Clin Pharmacol 31(1), 17–36 (2017)

    Article  Google Scholar 

  5. B. Furtula, I. Gutman, S. Ediz, On difference of Zagreb indices. Discrete Appl. Math. 178, 83–88 (2014)

    Article  MathSciNet  Google Scholar 

  6. Z. Shao, P. Wu, X. Zhang, D. Dimitrov, J.B. Liu, On the maximum ABC index of graphs with prescribed size and without pendent vertices. IEEE Access 6, 27604–27616 (2018)

    Article  Google Scholar 

  7. G. Caporossi, I. Gutman, P. Hansen, L. Pavlović, Graphs with maximum connectivity index. Comput. Biol. Chem. 27(1), 85–90 (2003)

    Article  Google Scholar 

  8. W. Gao, H. Wu, M.K. Siddiqui, A.Q. Baig, Study of biological networks using graph theory. Saudi J. Biol. Sci. 25(6), 1212–1219 (2018)

    Article  Google Scholar 

  9. M. Ghorbani, N. Azimi, Note on multiple Zagreb indices. Iran. J. Math. Chem. 3(2), 137–143 (2012)

    MATH  Google Scholar 

  10. I. Gutman, Degree-based topological indices. Croatica Chem. Acta 86(4), 351–361 (2013)

    Article  Google Scholar 

  11. Z. Iqbal, M. Ishaq, A. Aslam, W. Gao, On eccentricity-based topological descriptors of water-soluble dendrimers. Zeitschrift für Naturforschung C 74(1–2), 25–33 (2019)

    Google Scholar 

  12. Z. Iqbal, M. Ishaq, R. Farooq, Computing different versions of atom-bond connectivity index of dendrimers. J. Inform. Math. Sci. 9(1), 217–229 (2017)

    Google Scholar 

  13. Z. Shao, M.K. Siddiqui, M.H. Muhammad, Computing zagreb indices and zagreb polynomials for symmetrical nanotubes. Symmetry 10(7), 244–260 (2018)

    Article  Google Scholar 

  14. D. Vukičević, B. Furtula, Topological index based on the ratios of geometrical and arithmetical means of end-vertex degrees of edges. J. Math. Chem. 46(4), 1369–1376 (2009)

    Article  MathSciNet  Google Scholar 

  15. W. Gao, M. Imran, M.K. Siddiqui, M. Naeem, F. Jamil, Molecular description of copper (I) oxide and copper (II) oxide. Quimica Nova 41(8), 874–879 (2018)

    Google Scholar 

  16. I. Gutman, N. Trinajstić, Graph theory and molecular orbitals. Total electron energy of alternant hydrocarbons. Chem. Phys. Lett. 17(4), 535–538 (1972)

    Article  ADS  Google Scholar 

  17. Y.C. Kwun, M. Munir, W. Nazeer, S. Rafique, S.M. Kang, M-polynomials and topological indices of V-phenylenic nanotubes and nanotori. Sci. Rep. 7(1), 1–9 (2017)

    Article  Google Scholar 

  18. M.K. Siddiqui, M. Imran, A. Ahmad, On Zagreb indices, Zagreb polynomials of some nanostar dendrimers. Appl. Math. Comput. 280, 132–139 (2016)

    MathSciNet  MATH  Google Scholar 

  19. B. Bollobás, P. Erdos, Graphs of extremal weights. Ars Combinatoria 50, 225–233 (1998)

    MathSciNet  MATH  Google Scholar 

  20. D. Amić, D. Bešlo, B. Lucić, S. Nikolić, N. Trinajstić, The vertex-connectivity index revisited. J. Chem. Inf. Comput. Sci. 38(5), 819–822 (1998)

    Article  Google Scholar 

  21. E. Estrada, L. Torres, L. Rodriguez, I. Gutman, An atom-bond connectivity index: modelling the enthalpy of formation of alkanes. Indian J. Chem 37A, 849–855 (1998)

    Google Scholar 

  22. W. Gao, M.K. Siddiqui, M. Naeem, N.A. Rehman, Topological characterization of carbon graphite and crystal cubic carbon structures. Molecules 22(9), 1496–1515 (2017)

    Article  Google Scholar 

  23. K.C. Das, I. Gutman, Some properties of the second Zagreb index. MATCH Commun. Math. Comput. Chem 52(1), 13–21 (2004)

    MathSciNet  MATH  Google Scholar 

  24. I. Gutman et al., Graph theory and molecular orbitals. XII. Acyclic polyenes. J. Chem. Phys. 62(9), 3399–3405 (1975)

    Article  ADS  Google Scholar 

  25. I. Gutman, B. Furtula, Z.K. Vukicevic, G. Popivoda, On Zagreb indices and coindices. MATCH Commun. Math. Comput. Chem. 74(1), 5–16 (2015)

    MathSciNet  MATH  Google Scholar 

  26. B. Furtula, I. Gutman, A forgotten topological index. J. Math. Chem. 53(4), 1184–1190 (2015)

    Article  MathSciNet  Google Scholar 

  27. D. Wang, Y. Huang, B. Liu, Bounds on augmented zagreb index. MATCH Commun. Math. Comput. Chem. 68, 209–216 (2011)

    MathSciNet  MATH  Google Scholar 

  28. A.T. Balaban, L.V. Quintas, The smallest graphs, trees, and 4-trees with degenerate topological index. J. Math. Chem. 14, 213–233 (1983)

    MathSciNet  MATH  Google Scholar 

  29. P.S. Ranjini, V. Lokesha, A. Usha, Relation between phenylene and hexagonal squeeze using harmonic index. Int. J. Graph Theory 1(4), 116–121 (2013)

    Google Scholar 

  30. P. Langfelder, S. Horvath, WGCNA: an R package for weighted correlation network analysis. BMC Bioinform. 9(1), 559–579 (2008)

    Article  Google Scholar 

  31. E. Inbar et al., The Transcriptome of Leishmania major Developmental Stages in Their Natural Sand Fly Vector, mBio. Edited by L. D. Sibley 8(2), 29–39 (2017)

  32. B. Zhang, S. Horvath, A general framework for weighted gene co-expression network analysis, Statistical applications in genetics and molecular biology. De Gruyter 4(1), 55–69 (2005)

    Google Scholar 

  33. P. Langfelder, B. Zhang, S. Horvath, Defining clusters from a hierarchical cluster tree: the dynamic tree cut package for R., Bioinformatics (Oxford, England). England, 24(5), 719–720 (2008)

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Authors and Affiliations

  1. Department of Mathematics, COMSATS University Islamabad, Lahore Campus, Pakistan

    Sadia Khalid, Sana Javed, Muhammad Kamran Siddiqui & Muhammad Tahir Hussain

  2. Department of Chemistry, COMSATS University Islamabad, Lahore Campus, Pakistan

    Lubna Sherin & Shanzah Anzar

Authors
  1. Sadia Khalid
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  2. Sana Javed
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  3. Lubna Sherin
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  4. Muhammad Kamran Siddiqui
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  5. Muhammad Tahir Hussain
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  6. Shanzah Anzar
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This work was equally contributed by all writers.

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Khalid, S., Javed, S., Sherin, L. et al. On topological analysis of astragaloside IV drug using network construction and module detection. Eur. Phys. J. Plus 137, 214 (2022). https://doi.org/10.1140/epjp/s13360-022-02426-y

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  • DOI: https://doi.org/10.1140/epjp/s13360-022-02426-y

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