Some New Topological Invariants for Chemical Structures Used in the Treatment of COVID-19 Patients

Some New Topological Invariants for Chemical Structures Used in the Treatment of COVID-19 Patients

A topological index plays an important rule in predicting physicochemical properties of a molecular structure. There are more than 150 topological indices present in literature but not a single index predict perfect result. In this paper, we will introduce some new topological invariants namely Maxmin indices and Maxmin polynomials and calculate results for Chloroquine and Hydroxychloroquine. These structures are helpful in the treatment of COVID-19 patients.

___

  • Ajmal, M., Nazeer, W., Munir, M., Kang, S.M., Jung, C.Y., textit{The M-polynomials and topological indices of generalized prism network}, International Journal of Mathematical Analysis, textbf{11}(2017), 293-303.
  • Ami'c, D., Be$check{s}$lo, D., Luc$check{c}$i'c, B., Nikoli'c, S., Trinajstic, N., textit{The vertex-connectivity index revisited}, Journal of chemical information and computer sciences, textbf{38}(1998), 819-822.
  • Bollob'as, B., Erd$ddot{o}s$, P., textit{Graphs of extremal weights}, Ars Combinatoria, textbf{5}(1998), 225-233.
  • Gao, W., Wang, W., Farahani, M.R., textit{Topological indices study of molecular structure in anticancer drugs}, Journal of Chemistry, (2016) 1-8.
  • Gao, W., Farahani, M.R., textit{Degree-based indices computation for special chemical molecular structures using edge dividing method}, Applied Mathematics and Nonlinear Sciences, textbf{1}(2016), 99-122.
  • Gao, W., Wu, H., Siddiqui, M.K., Baig, A.Q., textit{Study of biological networks using graph theory}, Saudi journal of biological sciences, textbf{25}(2018), 1212-1219.
  • Gao, W., Wang, W., Dimitrov, D., Wang, Y., textit{Nano properties analysis via fourth multiplicative ABC indicator calculating}, Arabian journal of chemistry, textbf{11}(2018), 793-801.
  • Gao, W., Guirao, J.L.G., Abdel-Aty, M., Xi, W., textit{An independent set degree condition for fractional critical deleted graphs}, Discrete & Continuous Dynamical Systems-S, textbf{12}(2018).
  • Huang, C., Wang, Y., Li, X., Ren, L., Zhao, J., Hu, Y., Cheng, Z., textit{Clinical features of patients infected with 2019 novel coronavirus in Wuhan, China}, The Lancet, textbf{395}(2020), 497-506.
  • Liu, W., Morse, J.S., Lalonde, T., Xu, S., textit{Learning from the past: possible urgent prevention and treatment options for severe acute respiratory infections caused by 2019-nCoV}, Chembiochem, 21(2020), 730-738.
  • Lung, J., Lin, Y.S., Yang, Y.H., Chou, Y.L., Shu, L.H., Cheng, Y.C., Wu, C.Y., textit{ The potential chemical structure of anti-SARS-CoV-2 RNA-dependent RNA polymerase}, Journal of Medical Virology, (2020), 1-5.
  • Munir, M., Nazeer, W., Shahzadi, Z., Kang, S., textit{Some invariants of circulant graphs}, Symmetry, textbf{8}(2016), 134.
  • Naeem, M., Siddiqui, M.K., Guirao, J.L.G., Gao, W., textit{New and Modified Eccentric Indices of Octagonal Grid Omn}, Applied Mathematics and Nonlinear Sciences, textbf{3}(2018), 209-228.
  • Randi'c, M., textit{Characterization of molecular branching}, Journal of the American Chemical Society, textbf{97}(1975), 6609-6615.
  • Savarino, A., Di Trani, L., Donatelli, I., Cauda, R., Cassone, A., textit{New insights into the antiviral effects of chloroquine}, The Lancet infectious diseases, textbf{6}(2006), 67-69.
  • Shao, Z., Virk, A.R., Javed, M.S., Rehman, M.A., Farahani, M.R., textit{Degree based graph invariants for the molecular graph of Bismuth Tri-Iodide}, Eng. Appl. Sci. Lett., textbf{2}(2019), 01-11.
  • Virk, A.R., Rehman, M.A., Nazeer, W., textit{New definition of atomic bond connectivity index to overcome deficiency of structure sensitivity and abruptness in existing definition}, Sci Inquiry Rev, textbf{3}(2016), 1-20.
  • Virk, A.R., Jhangeer, M.N., Rehman, M.A., textit{Reverse Zagreb and reverse hyper-Zagreb indices for silicon carbide $Si_{2}C_{3}-I[r,s]$ and $Si_{2}C_{3}-II[r,s]$}, Eng. Appl. Sci. Lett., textbf{1}(2018), 37-48.
  • Wang, M., Cao, R., Zhang, L., Yang, X., Liu, J., Xu, M., Xiao, G., textit{Remdesivir and chloroquine effectively inhibit the recently emerged novel coronavirus (2019-nCoV) in vitro}, Cell research, textbf{30}(2020), 269-271.
  • Warren, T.K., Jordan, R., Lo, M.K., Ray, A.S., Mackman, R.L., Soloveva, V., Larson, N., textit{Therapeutic efficacy of the small molecule GS-5734 against Ebola virus in rhesus monkeys}, Nature, textbf{531}(2016), 381-385.
  • Wiener, H., textit{Structural determination of paraffin boiling points}, Journal of the American Chemical Society, textbf{69}(1947), 17-20.
  • Xu, X., Chen, P., Wang, J., Feng, J., Zhou, H., Li, X., Hao, P., textit{Evolution of the novel coronavirus from the ongoing Wuhan outbreak and modeling of its spike protein for risk of human transmission}, Science China Life Sciences, textbf{63}(2020), 457-460.
  • Yan, Y., Zou, Z., Sun, Y., Li, X., Xu, K.F., Wei, Y., Jiang, C., textit{Anti-malaria drug chloroquine is highly effective in treating avian influenza A H5N1 virus infection in an animal model}, Cell research, textbf{23}(2013), 300-302.
  • Zhou, D., Dai, S.M., Tong, Q., textit{COVID-19: a recommendation to examine the effect of hydroxychloroquine in preventing infection and progression}, Journal of Antimicrobial Chemotherapy, (2020).