Analysis of the Relationship Between Second Zagreb Index Values and the Oxidation Levels of Terpenoid Derivatives

Luzianawati Luzianawati; Muhammad Ahsan Hidayat; Ni Komang Tri Dharmayani; I Gede Adhitya Wisnu Wardhana

doi:10.29303/emj.v8i2.264

Authors

Luzianawati Luzianawati Department of Mathematics, Universitas Mataram
Muhammad Ahsan Hidayat Department of Chemistry, Universitas Mataram
Ni Komang Tri Dharmayani Department of Chemistry, Universitas Mataram
I Gede Adhitya Wisnu Wardhana Department of Mathematics, Universitas Mataram

DOI:

https://doi.org/10.29303/emj.v8i2.264

Keywords:

Chemical Topological Graph, Second Zagreb index, densiflorinic, oxidation

Abstract

Terpenoids are a group of secondary metabolites composed of isoprene units containing five carbon atoms (C5), synthesized from acetate through the mevalonate pathway. This research examines two triterpenoid derivatives, densiflorinic acid A and densiflorinic acid B. The second Zagreb index is applied to illustrate atomic interaction patterns—including H--C, C--O, O--H, and C--C—which serve as indicators of molecular structural complexity. The findings indicate that the second Zagreb index is a reliable measure for assessing the structural complexity and oxidation levels of triterpenoid derivatives that share the same core framework.

References

R. Dhaniaputri, H. Suwono, M. Amin, and B. Lukiati, “Introduction to plant metabolism, secondary metabolites biosynthetic pathway, and in-silico molecular docking for determination of plant medicinal compounds: an overview,” in 7th International Conference on Biological Science (ICBS 2021), pp. 373–382, Atlantis Press, 2022. https://doi.org/10.2991/absr.k.220406.053.

V. Mierza, A. Antolin, A. Ichsani, N. Dwi, S. Sridevi, and S. Dwi, “Isolasi dan identifikasi senyawa terpenoid: Research article: Isolation and identification of terpenoid compounds,” Jurnal Surya Medika (JSM), vol. 9, no. 2, pp. 134–141, 2023. https://doi.org/10.33084/jsm.v9i2.5681.

N. K. T. Dharmayani, L. D. Juliawaty, and Y. M. Syah, “Three tetracyclic triterpenoic acids from dysoxylum densiflorum and their antibacterial activities,” Natural Product Communications, vol. 11, no. 8, p. 1934578X1601100812, 2016. https://doi.org/10.1177/1934578X1601100812.

S. Han, J. Hong, Q. Luo, H. Xu, H. Tan, Q. Wang, J. Tao, Y. Zhou, L. Peng, Y. He, et al., “Hygroscopicity of organic compounds as a function of organic functionality, water solubility, molecular weight, and oxidation level,” Atmospheric Chemistry and Physics, vol. 22, no. 6, pp. 3985–4004, 2022. https://doi.org/10.5194/acp-22-3985-2022.

B. M. El-Haj and S. B. Ahmed, “Metabolic-hydroxy and carboxy functionalization of alkyl moieties in drug molecules: Prediction of structure influence and pharmacologic activity,” Molecules, vol. 25, no. 8, p. 1937, 2020. https://doi.org/10.3390/molecules25081937.

P. Hafizha et al., “Pengaruh isolasi kitosan cangkang lobster air tawar (cherax quadricarinatus) sebagai aktivitas antibakteri terhadap escherichia coli,” 2023. http://repository.umnaw.ac.id/jspui/handle/123456789/3353.

S. H. P. Ningrum, A. M. Siboro, S. T. Lestari, I. G. A. W. Wardhana, and Z. Y. Awanis, “Abstraksi chemical topological graph (ctg) melalui indeks topologis graf aljabar,” Prosiding Saintek, vol. 6, pp. 92–100, 2024. https://doi.org/10.29303/saintek.v6i1.923.

D. P. Malik, M. N. Husni, M. Miftahurrahman, I. G. A. W. Wardhana, G. Semil, et al., “The chemical topological graph associated with the nilpotent graph of a modulo ring of prime power order,” Journal of Fundamental Mathematics and Applications (JFMA), vol. 7, no. 1, pp. 1–9, 2024. https://doi.org/10.14710/jfma.v0i0.20269.

M. N. Husni, H. Syafitri, A. M. Siboro, A. G. Syarifudin, Q. Aini, and I. G. A. W. Wardhana, “The harmonic index and the gutman index of coprime graph of integer group modulo with order of prime power,” BAREKENG: Jurnal Ilmu Matematika dan Terapan, vol. 16, no. 3, pp. 961–966, 2022. https://doi.org/10.30598/barekengvol16iss3pp961-966.

S. F. Musyarrofah, N. Hijriati, and I. G. A. W. Wardhana, “Topological index of coprima graph of integers group modulo with order of prime power,” Jurnal Matematika, Statistika dan Komputasi, vol. 22, no. 1, pp. 114–121, 2025. https://doi.org/10.20956/j.v22i1.44217.

M. R. Gayatri, R. Fadhilah, S. T. Lestari, L. F. Pratiwi, A. Abdurahim, and I. G. A. W. Wardhana, “Topology index of the coprime graph for dihedral group of prime power order,” Jurnal Diferensial, vol. 5, no. 2, pp. 126–134, 2023. https://doi.org/10.35508/jd.v5i2.12462.

H. Hua, K. C. Das, and H. Wang, “On atom-bond connectivity index of graphs,” Journal of Mathematical Analysis and Applications, vol. 479, no. 1, pp. 1099–1114, 2019. https://doi.org/10.1016/j.jmaa.2019.06.069.

E. Y. Asmarani, S. T. Lestari, D. Purnamasari, A. G. Syarifudin, S. Salwa, and I. Wardhana, “The first zagreb index, the wiener index, and the gutman index of the power of dihedral group,” CAUCHY: Jurnal Matematika Murni dan Aplikasi, vol. 7, no. 4, pp. 513–520, 2023. http://dx.doi.org/10.18860/ca.v7i4.16991.

T. Mansour, M. Rostami, E. Suresh, and G. Xavier, “On the bounds of the first reformulated zagreb index,” Turkish Journal of Analysis and Number Theory, vol. 4, no. 1, pp. 8–15, 2016. https://doi.org/10.12691/tjant-4-1-2.

K. C. Das, K. Xu, and J. Nam, “Zagreb indices of graphs,” Frontiers of Mathematics in China, vol. 10, no. 3, pp. 567–582, 2015. https://doi.org/10.1007/s11464-015-0431-9.