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Bioactive Terpenes and Their Derivatives as Potential SARS-CoV-2 Proteases Inhibitors from Molecular Modeling Studies.
Diniz, Lúcio Ricardo Leite; Perez-Castillo, Yunierkis; Elshabrawy, Hatem A; Filho, Carlos da Silva Maia Bezerra; de Sousa, Damião Pergentino.
  • Diniz LRL; College of Nordeste da Bahia, Coronel João Sá 48590-000, Brazil.
  • Perez-Castillo Y; Bio-Cheminformatics Research Group and Escuela de Ciencias Físicas y Matemáticas, Universidad de Las Américas, Quito 170125, Ecuador.
  • Elshabrawy HA; Department of Molecular and Cellular Biology, College of Osteopathic Medicine, Sam Houston State University, Conroe, TX 77304, USA.
  • Filho CDSMB; Department of Pharmaceutical Sciences, Federal University of Paraíba, João Pessoa 58051-900, Brazil.
  • de Sousa DP; Department of Pharmaceutical Sciences, Federal University of Paraíba, João Pessoa 58051-900, Brazil.
Biomolecules ; 11(1)2021 Jan 07.
Article in English | MEDLINE | ID: covidwho-1041770
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.
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Full text: Available Collection: International databases Database: MEDLINE Main subject: Antiviral Agents / Protease Inhibitors / Terpenes / Drug Discovery / Coronavirus 3C Proteases / SARS-CoV-2 Limits: Humans Language: English Year: 2021 Document Type: Article Affiliation country: Biom11010074

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Full text: Available Collection: International databases Database: MEDLINE Main subject: Antiviral Agents / Protease Inhibitors / Terpenes / Drug Discovery / Coronavirus 3C Proteases / SARS-CoV-2 Limits: Humans Language: English Year: 2021 Document Type: Article Affiliation country: Biom11010074