In Silico Analysis of Antiviral Activity of Analog Curcumin Compounds
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In Silico, Curcumin Analogue, Antiviral
Abstract
Some studies state that curcumin analog compounds can improve the bioavailability and biological activity of curcumin. One of the methods to predict the bioactivity of curcumin was computational using molecular docking method. This study has done bioactivity tests of curcumin analog compounds as antiviral using the molecular docking method with the software used are PLANTS, YASARA, MarvinSketch, and Pymol for visualization. This study used analog curcumin compounds derived from previous research. This study used five different viral reseptor types. The maraviroc, docosanol, ribavirin, and zanamivir were used as compound control in this research. The validated target protein consists of 5 (five) receptors with PDB codes 1V2I, 4WEG, 2HWI, 2QAD, and 3ALP. Based on this research, compounds that are predicted active as antiviral on each receptors that are: 2,5-bis(3,5-ditertbutyl-4-hydroxy benzyl)cyclopentanone (1V2I), 1,7- diphenyl-1,6-heptadiene-3,5-dione (4WEG), 1,7-bis(3,4-dibenzyloxiphenyl)-1,6-heptadiene-3,5-dione (2HWI), and 2,5-bis(3,5-ditertbutyl-4-hydroxybenzyl)cyclopentanone (3ALP).
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References
Ben-Shabat S., Yarmolinsky L., Porat D, Dahan A. 2020. Antiviral effect of phytochemicals from medicinal plants: Applications and drug delivery strategies. Drug Deliv. and Transl. Res. 10:354–367.
Cann AJ. 2012.Principles of Molecular Virology.. Principles of Molecular Virology. 5th ed. United Kingdom (44): Elsevier Ltd.
Host DNA Damage ResponseAnnu. Rev. Virol..5:141-164.
https://www.nfid.org/antibiotic-resistance/what-is-antibiotic-resistance/. diakses 4 agustus, 2020.
Huang, C.-C., Lam, S.N., Acharya, P., Tang, M., Xiang, S.-H., Hussan, S.S., Stanfield, R.L., Robinson, J., Sodroski, J., Wilson, I.A., Wyatt, R., Bewley, C.A., Kwong, P.D. 2007. Structures of the CCR5 N terminus and of a tyrosine-sulfated antibody with HIV-1 gp120 and CD4. Science 317: 1930-1934.DOI: 10.1126/science.1145373
Iman N, Hakim L, Hidayati N. 2018. Molecular Modeling of An Analog Of Curcumin Compounds Computational Chemistry Methods Ab-Initio HF / 4-31G..
Lawrence, M.C., Borg, N.A., Streltsov, V.A., Pilling, P.A., Epa, V.C., Varghese, J.N., McKimm-Breschkin, J.L., Colman, P.M.. 2004. Structure of the Haemagglutinin-neuraminidase from Human Parainfluenza Virus Type III, J Mol Biol 335: 1343-1357. DOI: 10.1016/j.jmb.2003.11.032
Mathew, D., & Hsu, W.-L..2018. . Antiviral potential of curcumin. Journal of Functional Foods, 40, 692–699. doi:10.1016/j.jff.2017.12.017
Matthew D. Weitzman and Am´elie Fradet-Turcotte. . 2016. Virus DNA Replication and the
Narita, H., Yamamoto, Y., Suzuki, M., Miyazaki, N., Yoshida, A., Kawai, K., Iwasaki, K., Nakagawa, A., Takai, Y., Sakisaka, T. 2011. Crystal Structure of the cis-Dimer of Nectin-1: implications for the architecture of cell-cell junctions. J Biol Chem 286: 12659-12669. DOI: 10.1074/jbc.M110.197368
Nurfina AN, Reksohadiprodjo MS, Timmerman H, Jenie UA, Sugiyanto D, Van Der Goot. 1997. Synthesis of some symmetrical curcumin derivatives and their antiinflammatory activity. Eur J Med Chem;.
P. D. D. F. Santos, et al. 2019. Nanoencapsulation of curcuminoids extracted from Curcuma longa L. and evaluation of cytotoxic, enzymatic, antioxidant and anti-inflammatory activities, Food Funct., , DOI: 10.1039/C8FO02431F
Purnomo H. 2011. Kimia Komputasi: Molecular docking PLANTS (Protein-Ligand ANT System). Yogyakarta: Pustaka Belajar;
Ruben Vardanyan, Victor Hruby, 2016. Antiviral Drugs, in Synthesis of Best-Seller Drugs, p687-736.
Sardjiman S, Reksohadiprodjo M. 1997. 1, 5-Diphenyl-1, 4-pentadiene-3-ones and cyclic analogues as antioxidative agents. Synthesis and structure-activity relationship. Eur J Med Chem;;32(7–8):625–30.
Sohail MN, Rasul F, Karim A, Kanwal U, Attitalla IH. 2011. Plant as a Source of Natural Antiviral Agents. Asian J Anim Vet Adv;.
Streltsov, V.A., Pilling, P., Barrett, S., McKimm-Breschkin, J.L. Catalytic mechanism and novel receptor binding sites of human parainfluenza virus type 3 hemagglutinin-neuraminidase (hPIV3 HN). 2015. Antiviral Res. 123: 216-223. DOI: 10.1016/j.antiviral.2015.08.014
Tyas PW, Santoso B. 2018. Afinitas Ikatan Senyawa Dalam Kulit dan Biji Buah Jeruk Keprok serta Adas Bintang terhadap sintase III 3-oksoasil- [ asil-carrier-protein ] dan Reduktase Enoyl-ACP ( InhA ) Myobacterium tuberculosis. 7th Univ Res Colloqium;.
Wilson CO, Gisvold O, Doerge RF. 2011. Textbook of Organic Medicinal and Pharmaceutical chemistry. 12th ed. John M. Beasle J, Block JH, editors. Animal Genetics. Lippincott Williams & Wilkins, A Wolters Kluwer business;.
Yan, S., Appleby, T., Larson, G., Wu, J.Z., Hamatake, R., Hong, Z., Yao, N. 2006. Structure-based design of a novel thiazolone scaffold as HCV NS5B polymerase allosteric inhibitors. Bioorg Med Chem Lett 16: 5888-5891. DOI: 10.1016/j.bmcl.2006.08.056.
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