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Volume 11
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10.3390/biom11010074
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Article

Bioactive Terpenes and Their Derivatives as Potential SARS-CoV-2 Proteases Inhibitors from Molecular Modeling Studies

by
Lúcio Ricardo Leite Diniz
1,
Yunierkis Perez-Castillo
2,
Hatem A. Elshabrawy
3,
Carlos da Silva Maia Bezerra Filho
4 and
Damião Pergentino de Sousa
4,*
1
College of Nordeste da Bahia, Coronel João Sá 48590-000, Brazil
2
Bio-Cheminformatics Research Group and Escuela de Ciencias Físicas y Matemáticas, Universidad de Las Américas, Quito 170125, Ecuador
3
Department of Molecular and Cellular Biology, College of Osteopathic Medicine, Sam Houston State University, Conroe, TX 77304, USA
4
Department of Pharmaceutical Sciences, Federal University of Paraíba, João Pessoa 58051-900, Brazil
*
Author to whom correspondence should be addressed.
Biomolecules 2021, 11(1), 74; https://doi.org/10.3390/biom11010074
Submission received: 26 November 2020 / Revised: 23 December 2020 / Accepted: 29 December 2020 / Published: 7 January 2021
(This article belongs to the Section Natural and Bio-derived Molecules)
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Abstract

The coronavirus disease 2019 (COVID-19) pandemic is caused by a novel coronavirus; the Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2). Millions of cases and deaths to date have resulted in a global challenge for healthcare systems. COVID-19 has a high mortality rate, especially in elderly individuals with pre-existing chronic comorbidities. There are currently no effective therapeutic approaches for the prevention and treatment of COVID-19. Therefore, the identification of effective therapeutics is a necessity. Terpenes are the largest class of natural products that could serve as a source of new drugs or as prototypes for the development of effective pharmacotherapeutic agents. In the present study, we discuss the antiviral activity of these natural products and we perform simulations against the Mpro and PLpro enzymes of SARS-CoV-2. Our results strongly suggest the potential of these compounds against human coronaviruses, including SARS-CoV-2.
Keywords: natural products; terpenoid; plants; saponins; Middle East Respiratory Syndrome Virus; SARS-CoV; MERS-CoV; SARS-CoV-2; COVID-19; viruses natural products; terpenoid; plants; saponins; Middle East Respiratory Syndrome Virus; SARS-CoV; MERS-CoV; SARS-CoV-2; COVID-19; viruses

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MDPI and ACS Style

Diniz, L.R.L.; Perez-Castillo, Y.; Elshabrawy, H.A.; Filho, C.d.S.M.B.; de Sousa, D.P. Bioactive Terpenes and Their Derivatives as Potential SARS-CoV-2 Proteases Inhibitors from Molecular Modeling Studies. Biomolecules 2021, 11, 74. https://doi.org/10.3390/biom11010074

AMA Style

Diniz LRL, Perez-Castillo Y, Elshabrawy HA, Filho CdSMB, de Sousa DP. Bioactive Terpenes and Their Derivatives as Potential SARS-CoV-2 Proteases Inhibitors from Molecular Modeling Studies. Biomolecules. 2021; 11(1):74. https://doi.org/10.3390/biom11010074

Chicago/Turabian Style

Diniz, Lúcio Ricardo Leite, Yunierkis Perez-Castillo, Hatem A. Elshabrawy, Carlos da Silva Maia Bezerra Filho, and Damião Pergentino de Sousa. 2021. "Bioactive Terpenes and Their Derivatives as Potential SARS-CoV-2 Proteases Inhibitors from Molecular Modeling Studies" Biomolecules 11, no. 1: 74. https://doi.org/10.3390/biom11010074

APA Style

Diniz, L. R. L., Perez-Castillo, Y., Elshabrawy, H. A., Filho, C. d. S. M. B., & de Sousa, D. P. (2021). Bioactive Terpenes and Their Derivatives as Potential SARS-CoV-2 Proteases Inhibitors from Molecular Modeling Studies. Biomolecules, 11(1), 74. https://doi.org/10.3390/biom11010074

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