Main Article Content
A new coronavirus appears in China in December 2019, subsequently threatening the world, it was identified as Covid-19. Its main symptomatic characteristic is directly linked to acute respiratory failure, however there are asymptomatic cases of the disease, mainly in the group not considered at risk. For the treatment of the disease a variety ofantiviral drugs have been tested, with conflicting results. The use of computer-assisted drugs is essential for the development of new therapeutic alternatives for various diseases, once they reduce the time consumed in the initial screening tests, in addition to determining the possible mechanisms of action and reducing toxicity. In our study, we evaluated the interaction of viral components of the coronavirus with potassium usnate, salt derived from lichenic origin and with proven antimicrobial and antitumor activities. Derived from ussic acid, potassium usnate showed low energy for complex formation, this interaction occurs between the usnate salt and the structures of proteinase 3CLpro and enzyme Mpro, all key parts of Covid-19. In addition, in order to prove in silico the use of potassium usnate, they were tested and compared with other approved drugs and candidates for clinical trials to combat the new coronavirus.
This work is licensed under a Creative Commons Attribution-NoDerivatives 4.0 International License.
Submission of an article implies that the work described has not been published previously (except in the form of an abstract or as part of a published lecture or academic thesis), that it is not under consideration for publication elsewhere, that its publication is approved by all authors and tacitly or explicitly by the responsible authorities where the work was carried out, and that, if accepted, will not be published elsewhere in the same form, in English or in any other language, without the written consent of the Publisher. The Editors reserve the right to edit or otherwise alter all contributions, but authors will receive proofs for approval before publication.
Copyrights for articles published in IJIER journals are retained by the authors, with first publication rights granted to the journal. The journal/publisher is not responsible for subsequent uses of the work. It is the author's responsibility to bring an infringement action if so desired by the author.
Nakajima, N.; Hata, S .; Sato, Y.; Tobiume, M.; Katano, H.; Kaneko K. et al. The first autopsy case of pandemic influenza (A / H1N1pdm) virus infection in a Japan: detection of a high copy number of the virus in type II alveolar epithelial cells by pathological and virological examination. Jpn J Infect Dis. 2009 Jan; 63 (1): 67-71. https://pubmed.ncbi.nlm.nih.gov/20093768/
Huang, C.; Wang, Y. Li X et al. Clinical features of patients infected with 2019 novel coronavirus in Wuhan, China. Lancet. 2020; 395: 497-506. https://pubmed.ncbi.nlm.nih.gov/31986264/
Chan J.F.; Yuan S.; Kok K.H. et al. A familial cluster of pneumonia associated with the 2019 novel coronavirus indicating person-to-person transmission: a study of a family cluster.Lancet. 2020; 395: 514-523. https://pubmed.ncbi.nlm.nih.gov/31986261/
Richman, D.D.; Whitley, R.J.; Hayden F.G.; eds. Clinical virology, 4th edn. Washington: ASM Press, 2016. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7107991/
Groot, R.J.; Baker, S.C.; Baric, R.S. et al. Middle East respiratory syndrome coronavirus (MERS-CoV): announcement of the Coronavirus Study Group. J Virol 2013; 87: 7790–92. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3700179/
Zaki, A.M.; Boheemen, S.; Bestebroer, T.M.; Osterhaus, A.D.M.E.; Fouchier R.A.M. Isolation of a novel coronavirus from a man with pneumonia in Saudi Arabia. N Engl J Med 2012; 367: 1814–20. DOI: 10.1056/NEJMoa1211721
Center for Health Protection of the Hong Kong SpecialAdministrative Region Government. CHP provides further information on cluster of pneumonia cases in Wuhan. Jan 12, 2020. https://www.info.gov.hk/gia/general/202001/12/P2020011200710.htm DOI: 10.4103/jin.jin_8_20
Anand, K. et al. Structure of coronavirus main proteinase reveals combination of a chymotrypsin fold with an extra α-helical domain. The EMBO Journal 21, 3213-3224 (2002). https://pubmed.ncbi.nlm.nih.gov/12093723/
Yang, HT et al. The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor. Proceedings of the National Academy of Sciences of the United States of America 100, 13190-13195, doi: 10.1073 / pnas.1835675100 (2003). https://pubmed.ncbi.nlm.nih.gov/14585926/
F. Csizmadia, A. Tsantili-Kakoulidou, I. Panderi, and F. Darvas, “Prediction of distribution coefficient from structure. 1. Estimation method, ”Journal of Pharmaceutical Sciences, vol. 86, no. 7, pp. 865–871, 1997. https://doi.org/10.1021/js960177k
Whitley RJ, Roizman B. Herpes simplex virus infections. Lancet. 2001; 357 (9267): 1513-8. https://pubmed.ncbi.nlm.nih.gov/11377626/
Simmons A. Clinical manifestations and treatment considerations of herpes simplex virus infection. J Infect Dis. 2002; 186 (Suppl. 1): S717. DOI: 10.1086/342967
Nikkels A.F., Piérard G.E.. Oral antivirals revisited in the treatment of herpeszoster. What do they accomplish? Am J Clin Dermatol. 2002; 3 (9): 591-8. Gnann JW, Whitley RJ. Herpes zoster. N Engl J Med. 2003; 347 (5): 340-6. https://www.touchophthalmology.com/wpcontent/uploads/sites/16/2015/07/roussaufinalonline_0.pdf
Geller M., Neto, M. S., Ribeiro, M. G., Oliveira, L., Naliato, E. C., Abreu, C., Schechtman, R. C.. Herpes Simplex: Clinical Update, Epidemiology and Therapeutics. DST - J bras Doenças Sex Transm 2012;24(4):260-266 - ISSN: 0103-4065 - ISSN on-line: 2177-8264. DOI: 10.5533/DST-2177-8264-201224408.
Rynes RI: Antimalarial drugs in the treatment of rheumatological diseases. Br J Rheumatol 36: 799-805, 1997. DOI: 10.1093/rheumatology/36.7.799
Kalia S, Dutz JP: New concepts in antimalarial use and mode of action in dermatology. Dermatol Ther 20: 160-74, 2007. DOI: 10.1111/j.15298019.2007.00131.x
Sant't anna, CMR; Quim. Nova 2002, 25, 505. https://www.scielo.br/scielo.php?script=sci_nlinks&ref=000194&pid=S01004042200300030002300004&lng=es
Sahin S., S. Oran, Sahinturk, Demir C., Ozturk S. Ramalina, Lichens and their main metabolites as possible natural antioxidant and antimicrobial agents. J Food Biochem 2015; 39: 471-7. https://doi.org/10.1111/jfbc.12142
Knop W. Chemisch-physiologische über die Untersuchung flechten. Ann Chem Pharm 1844: 49: 103-24. https://link.springer.com/article/10.1186/s13104-019-4580-x
Araújo, ES, Pereira, EC, Costa, MM, Silva, NH, Oliveira, HP. Bactericidal activity of Acid-Loaded single electrospun fibers. Recent patents on Nanotechnology, 2016, Vol. 10, No. 3. DOI : 10.2174/1872210510666160517160144
Oprea, TI Chemoinformatics in drug discovery. Weinheim: Wiley-VCH, 2005. https://www.wiley-vch.de/en/areas-interest/natural-sciences/chemoinformatics-in-drug-discovery-978-3-527-30753-1
Kanchan Anand, John Ziebuhr, Parvesh Wadhwani, Jeroen R. Mesters, Rolf Hilgenfeld. Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of Anti-SARS Drugs. Science, 13 Jun 2003. DOI: 10.1126/science.1085658
Wang, M., Cao, R., Zhang, L. et al .. Remdesivir and chloroquine effectively inhibit the recently emerged novel coronavirus (2019-nCoV) in vitro. Published online: 4 February 2020. https://www.nature.com/articles/s41422-020-0282-0
Varesano A., Vineis C., Tonetti C., Mazzuchetti G. & Bobba V. Antibacterial property on Gram-positive bacteria of polypyrrole-coated fabrics. J. Appl. Polym. Sci. 132: 41670. 2015. https://doi.org/10.1002/app.41670