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Document Type : Original Article

Authors

1 Department of Applied Mathematics, Semnan University, Semnan, 35131-19111, Iran

2 Department of Applied Mathematics, Semnan University, Semnan, 35131-19111, Iran Semnan University Semnan, Iran

Abstract

To fight against viral diseases, in addition to prevent the spread of the disease, it is necessary to discover suitable antiviral agents to save as many lives as possible. Therefore, it seems important to develop new and effective vaccines. An efficient way to find effective drugs or vaccines is to answer whether they effectively treat the viral disease of interest. In this article, M-polynomial, NM-polynomial, and some topological indices are investigated for Lopinavir, Azithromycin, Favipiravir, and Oseltamivir, which are considered as the efficient COVID-19 antiviral drugs, and they can be used as a guide to discover more efficient drugs to battle against COVID -19. Also, in addition to calculate the topological indices, M-polynomial and     NM-polynomial were plotted and compared as well as they were used to calculate the topological indices.

Graphical Abstract

Examination of Four Antiviral Drugs by Studying Their Polynomials and Topological Indices

Keywords

Main Subjects

[1]. Tang W., Cao Z., Han M., Wang Z., Chen J., Sun W., Wu Y., Xiao W., Liu S., Chen E., Chen W., Wang X., Yang J., Lin J., Zhao Q., Yan Y., Xie Z., Li D., Yang Y., Liu L., Qu J., Ning G., Shi G., Xie Q., Hydroxychloroquine in patients with mainly mild to moderate coronavirus disease: open label, randomised controlled trial, The bmj, 2020, 369:1849, [Crossref], [Google Scholar], [Publisher]
[2]. Wang M., Cao R., Zhang L., Yang X., Liu J., Xu M., Shi Z., Hu Z., Zhong W., Xiao G., Remdesivir and chloroquine effectively inhibit the recently emerged novel coronavirus (2019nCoV) in vitro, Cell research, 2019, 30:269 [Crossref], [Google Scholar], [Publisher]
[3]. Yamamura, H., Matsuura, H., Nakagawa, J., Fukuoka, H., Domi, H., Chujoh, S., Effect of favipiravir and an anti-inflammatory strategy for COVID-19, Critical Care, 2020, 24:413 [Crossref], [Google Scholar], [Publisher]
[4]. Chandwani, A., Shuter, J., Lopinavir/ritonavir in the treatment of HIV-1 infection: a review, Therapeutics and clinical risk management, 2008, 4:1023 [Crossref], [Google Scholar], [Publisher]
[5]. Cao B., Wang Y., Wen D., Liu W., Wang J., Fan G., Wang C., A trial of lopinavir–ritonavir in adults hospitalized with severe Covid-19, New England Journal of Medicine, 2020, 382:1787 [Crossref], [Google Scholar], [Publisher]
[6]. Gautret P., Lagier J.C., Parola P., Meddeb L., Mailhe M., Doudier B., Courjon J., Giordanengo V., Vieira V.E., Dupont H.T., Honoré S., Colson P., Chabrière E., Scola B.L., Rolain J.M., Brouqui P., Raoult D., Hydroxychloroquine and azithromycin as a treatment of COVID-19: results of an open-label non-randomized clinical trial, International journal of antimicrobial agents, 2020, 56:105949 [Crossref], [Google Scholar], [Publisher]
[7]. Tan Q., Duan L., Ma Y., Wu F., Huang Q., Mao K., Xiao W., Xia H., Zhang S., Zhou E., Ma P., Song S., Li Y.M., Zhao Z., Sun Y., Li Z., Geng W., Yin Z., Jin Y., Is oseltamivir suitable for fighting against COVID-19: In silico assessment, in vitro and retrospective study, Bioorganic chemistry, 2020, 104:104257 [Crossref], [Google Scholar], [Publisher]
[8]. Galvez J., Zanni R., Galvez-Llompart M., Drugs repurposing for coronavirus treatment: Computational study based on molecular topology, Nereis, 2020, 15 [Google Scholar]
[9]. Gao W., Wang Y., Basavanagoud B., Jamil M.K., Characteristics studies of molecular structures in drugs, Saudi Pharmaceutical Journal, 2017, 25:580 [Crossref], [Google Scholar], [Publisher]
[10]. Gao W., Farahani M.R., Shi L., Forgotten topological index of some drug structures, Acta medica mediterranea, 2016, 32:579 [Google Scholar], [Publisher]
[11]. Raza Z, Sukaiti E.K., M-polynomial and degree based topological indices of some nanostructures, Symmetry, 2020, 12:831 [Crossref], [Google Scholar], [Publisher]
[12]. Deutsch E., Klavžar S., M-polynomial and degree-based topological indices, arXiv preprint arXiv:1407.1592, 2014 [Crossref], [Google Scholar], [Publisher]
[13]. Mondal S., Imran M., De N., Pal A., Neighborhood M-polynomial of titanium compounds, Arabian Journal of chemistry, 2021, 14:103244 [Crossref], [Google Scholar], [Publisher]
[14]. Gutman I., Geometric approach to degree-based topological indices: Sombor indices, MATCH Commun. Math. Comput. Chem, 2021, 86:11 [Google Scholar], [Publisher]
[15]. Fantini, J., Chahinian, H., Yahi, N., Synergistic antiviral effect of hydroxychloroquine and azithromycin in combination against SARS-CoV-2, What molecular dynamics studies of virus-host interactions reveal, International journal of antimicrobial agents, 2020, 56:106020 [Crossref], [Google Scholar], [Publisher]
[16]. Rafi M.O., Bhattacharje G., Al-Khafaji K., Taskin-Tok T., Alfasane M.A., Das A.K., Rahman M.S., Combination of QSAR, molecular docking, molecular dynamic simulation and MM-PBSA: analogues of lopinavir and favipiravir as potential drug candidates against COVID-19, Journal of Biomolecular Structure and Dynamics, 2020, 40:3711 [Crossref], [Google Scholar], [Publisher]
[17]. Kang S.M., Zahid M.A., Nazeer W., Gao W., Calculating the degree-based topological indices of dendrimers, Open Chemistry, 2018, 16:681 [Crossref], [Google Scholar], [Publisher]