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Sea urchin pigments as potential therapeutic agents against the spike protein of SARS-CoV-2 based on in silico analysis

Barbieri, Elena Susana et al · American Chemical Society · 2020

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Author / responsible party
Barbieri, Elena Susana et al
Publisher
American Chemical Society
Year
2020
ISSN
2573-2293
ISSN
2573-2293
Language
English

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Several studies have been published regarding the interaction between the spike protein of the novel coronavirus SARS-CoV-2 and ACE2 receptor in the host cells. In the presente work, we evaluated the in silico properties of two sea urchin pigments, Echinochrome A (EchA) and Spinochromes (SpinA) against the Spike protein (S) towards finding a potential therapeutic drug against the disease caused by the novel coronavirus (COVID-19). The best ensemble docking pose of EchaA and SpinA showed a binding affinity of -5.9 and -6.7 kcal mol-1, respectively. The linked aminoacids (T505, G496 and Y449 for EchA and Y449, Q493 and G496 for SpinA) are in positions involved in ACE2 binding in both RBDs frim SARS-CoV and SARS-CoV-2 suggesting that EchA and SpinA may interact with Spike proteins drom both viruses. The results suggest that these pigments could act as inhibitors of S protein, pointing them as antiviral drugs for SARS-CoV-2. Fil: Barbieri, Elena Susana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Centro Nacional Patagónico. Centro para el Estudio de Sistemas Marinos; Argentina. Universidad Nacional de la Patagonia "San Juan Bosco". Facultad de Ciencias Naturales - Sede Puerto Madryn. Instituto Patagónico del Mar; Argentina Fil: Rubilar Panasiuk, Cynthia Tamara. Universidad Nacional de la Patagonia "San Juan Bosco". Facultad de Ciencias Naturales - Sede Puerto Madryn. Instituto Patagónico del Mar; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Centro Nacional Patagónico. Centro para el Estudio de Sistemas Marinos; Argentina

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APA 7

Barbieri, E. S. E. A. (2020). Sea urchin pigments as potential therapeutic agents against the spike protein of SARS-CoV-2 based on in silico analysis. http://hdl.handle.net/11336/109300

MLA

Barbieri, Elena Susana et al. "Sea urchin pigments as potential therapeutic agents against the spike protein of SARS-CoV-2 based on in silico analysis." 2020. http://hdl.handle.net/11336/109300.

Chicago

Barbieri, Elena Susana et al. 2020. "Sea urchin pigments as potential therapeutic agents against the spike protein of SARS-CoV-2 based on in silico analysis.". http://hdl.handle.net/11336/109300.

Harvard

Barbieri, E. S. E. A. 2020, Sea urchin pigments as potential therapeutic agents against the spike protein of SARS-CoV-2 based on in silico analysis, American Chemical Society, available at: http://hdl.handle.net/11336/109300 [Accessed 10 Aug. 2026].

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Title
Sea urchin pigments as potential therapeutic agents against the spike protein of SARS-CoV-2 based on in silico analysis
Author / contributors
Barbieri, Elena Susana et al
Publisher
American Chemical Society
Publication year
2020
ISSN
2573-2293
ISSN
2573-2293
Language
English

Subjects

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2019 PANDEMIC; 1 4-naphtoquinones polihydroxilate; Echinochrome A; Spinochromes; antiviral drug; COVID-19; https://purl.org/becyt/ford/1.6; https://purl.org/becyt/ford/1
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