On the QSPR Models of some Anti-Malaria Drugs using some Reversed Degree-Based Topological Indices

Authors

  • Hassan Ibrahim
    Department of Mathematics, Federal University of Lafia, PMB 146, Lafia, Nigeria
  • Gladys Amos Shewa
    Department of Mathematics, Taraba State University, PMB 1167, Jalingo, Nigeria
  • Babatunde Adewale Aderibigbe
    Department of Mathematics, Federal University of Lafia, PMB 146, Lafia, Nigeria

Keywords:

Array, Array, Array, Array

Abstract

A topological index is a real number obtained from the chemical structure of a molecular graph that can be used to predict the physiochemical and biological properties of chemical compounds like drugs and benzene structures. This study aimed at proposing a quantitative structure-property relationship (QSPR) model for some physiological and biological properties of some anti-malaria drugs. Some reversed-degree-based topological indices of the molecular graphs of these drugs were computed; hence, a linear regression model analysis of these indices with the empirical values of the said properties of these drugs was carried out and presented. It was found that the topological indices computed for the said drugs have a good correlation with these physicochemical properties.

Dimensions

Cosgriff, A., Desjardins, R., Pamplin, C., Canfield, C., Doberstyn, E., and Boudreau, E. (1982). Evaluation of the antimalarial activity of the phenanthrenemethanol halofantrine. American Journal of Tropical Medicinal Hygiene, 31. https://doi.org/10.4269/ajtmh.1982.31.1075

Wiener, H.(1947).Structural determination of paraffin boiling points. Journal of the American Chemical Society, 69(1). https://doi.org/10.1021/ja01193a005

Hosoya, H. (1988). On some counting polynomials in chemistry. Discrete Applied Mathematics, 19(1–3). https://doi.org/10.1016/0166-218X(88)90017-0

Garc´ıa, I., Fall, Y., and G´omez, G. (2010). Using topological indices to predict anti-alzheimer and anti-parasitic gsk-3 inhibitors by multi-target qsar in silico screening. Molecules, 15(8):5408–5422. https://doi.org/10.3390/molecules15085408

Gao, W., Wang, W., and Farahani, M. R. (2016). Topological indices study of molecular structure in anticancer drugs. Journal of chemistry, 2016. https://doi.org/10.1155/2016/3216327

Zheng, L., Wang, Y., and Gao, W. (2019). Topological indices of hyaluronic acid-paclitaxel conjugates’ molecular structure in cancer treatment. Open Chemistry, 17(1):81–87. https://doi.org/10.1515/chem-2019-0009

Imran, M., Baig, A. Q., and Khalid, W. (2018). On topological indices of fractal and cayley tree type dendrimers. Discrete Dynamics in Nature and Society, 2018. https://doi.org/10.1155/2018/2684984

Kang, S. M., Zahid, M. A., Nazeer, W., Gao, W. (2018). Calculating the degree-based topological indices of dendrimers. Open Chemistry, 16(1):681–688. https://doi.org/10.1515/chem-2018-0071

Ediz, S., Cancan, M., Alaeiyan, M., and Farahani, M. R. (2020). Ve-degree and ev-degree topological analysis of some anticancer drugs. Eurasian Chemical Communications,2(8):834–840. http://dx.doi.org/10.22034/ecc.2020.107867

Anil, A. K., Basavarajappa, N.B., Shanmukha M.C., and Silpa, K.C. (2020). Degree-based topological indices on asthma drugs with QSPR analysis during covid-19. European Journal of Molecular & Clinical Medicine, 7(10):53–66. https://ui.adsabs.harvard.edu/link_gateway/2020Heliy...604235S/doi:10.1016/j.heliyon.2020.e04235

Saleh, A., Shalini, G. B. S., and Dhananjayamurthy, B. V. (2020). The reduced neighborhood topological indices and RNM-polynomial for the treatment of covid-19. Open Chemistry, 19(21): 2223–229. https://doi.org/10.33263/BRIAC114.1181711832

Wei, J., Cancan, M., Rehman, A. U., Siddiqui, M. K., Nasir, M., Younas, M. T., and Hanif, M. F. (2022). On topological indices of remdesivir compound used in treatment of corona virus (covid 19). Polycyclic Aromatic Compounds, 42(7):4300–4316. http://dx.doi.org/10.1080/10406638.2021.1887299

Mondal, S., De, N., and Pal, A. (2022). Topological indices of some chemical structures applied for the treatment of covid-19 patients. Polycyclic Aromatic Compounds, 42(4):1220–1234. https://doi.org/10.1080%2F10406638.2020.1770306

Al-Ahmadi, B., Saleh, A., Al-Shammakh, W. (2021). Downhill Zagreb topological indices and Mdn- polynomial of some chemical structures applied for the treatment of covid-19 patients. Open Journal of Applied Sciences, 10(04):395. https://doi.org/10.4236/ojapps.2021.104029

Bokhary, S. A., Adnan, U. H., Siddiqui, M. K., and Cancan, M. (2022). On topological indices and QSPR analysis of drugs used for the treatment of breast cancer. Polycyclic Aromatic Compounds, 42(9):6233–6253. http://dx.doi.org/10.1080/10406638.2021.1977353

Shanmukha, M. C., Basavarajappa, N.S., Shilpa, K.C., and Usha, A. (2020). Degree-based topological indices on anticancer drugs with QSPR analysis. Heliyon, 6(6), 23-29. https://doi.org/10.1016%2Fj.heliyon.2020.e04235

Front

Published

2024-06-25

How to Cite

On the QSPR Models of some Anti-Malaria Drugs using some Reversed Degree-Based Topological Indices. (2024). Lafia Journal of Scientific and Industrial Research, 2(2), 82-89. https://doi.org/10.62050/ljsir2024.v2n2.296

Issue

Volume 2, Issue 2 (October, 2024), Lafia Journal of Scientific and Industrial Research (LJSIR)

Section

Physical Sciences
Copyright & Licensing

Copyright (c) 2024 Lafia Journal of Scientific and Industrial Research

Creative Commons License

This work is licensed under a Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License.

How to Cite

On the QSPR Models of some Anti-Malaria Drugs using some Reversed Degree-Based Topological Indices. (2024). Lafia Journal of Scientific and Industrial Research, 2(2), 82-89. https://doi.org/10.62050/ljsir2024.v2n2.296

Most read articles by the same author(s)

Similar Articles

51-60 of 71

You may also start an advanced similarity search for this article.