In Silico Analysis of Sea Urchin Pigments as Potential Therapeutic Agents Against SARS-CoV-2: Main Protease (Mpro) as a Target. Article Swipe
Tamara Rubilar
,
Elena S. Barbieri
,
Ayelén Gázquez
,
Marisa Avaro
,
Mercedes Vera-Piombo
,
Agustín Gittardi
,
Erina Noé Seiler
,
Jimena Pía Fernández
,
Lucas Afonso Sepulveda
,
Florencia Chaar
·
YOU?
·
· 2020
· Open Access
·
· DOI: https://doi.org/10.26434/chemrxiv.12598487
YOU?
·
· 2020
· Open Access
·
· DOI: https://doi.org/10.26434/chemrxiv.12598487
The SARS-CoV-2 outbreak has spread rapidly and globally generating a new coronavirus disease (COVID-19) since December 2019 that turned into a pandemic. Effective drugs are urgently needed and drug repurposing strategies offer a promising alternative to dramatically shorten the process of traditional de novo development. Based on their antiviral uses, the potential affinity of sea urchin pigments to bind main protease (Mpro) of SARS-CoV-2 was evaluated in silico. Docking analysis was used to test the potential of these sea urchin pigments as therapeutic and antiviral agents. All pigment compounds presented high molecular affinity to Mpro protein. However, the 1,4-naphtoquinones polihydroxilate (Spinochrome A and Echinochrome A) showed high affinity to bind around the Mpro´s pocket target by interfering with proper folding of the protein mainly through an H-bond with Glu166 residue. This interaction represents a potential blockage of this protease´s activity. All these results provide novel information regarding the uses of sea urchin pigments as antiviral drugs and suggest the need for further in vitro and in vivo analysis to expand all therapeutic uses against SARS-CoV-2.
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Metadata
- Type
- preprint
- Language
- en
- Landing Page
- https://doi.org/10.26434/chemrxiv.12598487
- OA Status
- gold
- Cited By
- 2
- References
- 36
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W4233739792
All OpenAlex metadata
Raw OpenAlex JSON
- OpenAlex ID
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https://openalex.org/W4233739792Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.26434/chemrxiv.12598487Digital Object Identifier
- Title
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In Silico Analysis of Sea Urchin Pigments as Potential Therapeutic Agents Against SARS-CoV-2: Main Protease (Mpro) as a Target.Work title
- Type
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preprintOpenAlex work type
- Language
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enPrimary language
- Publication year
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2020Year of publication
- Publication date
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2020-07-03Full publication date if available
- Authors
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Tamara Rubilar, Elena S. Barbieri, Ayelén Gázquez, Marisa Avaro, Mercedes Vera-Piombo, Agustín Gittardi, Erina Noé Seiler, Jimena Pía Fernández, Lucas Afonso Sepulveda, Florencia ChaarList of authors in order
- Landing page
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https://doi.org/10.26434/chemrxiv.12598487Publisher landing page
- Open access
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YesWhether a free full text is available
- OA status
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goldOpen access status per OpenAlex
- OA URL
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https://doi.org/10.26434/chemrxiv.12598487Direct OA link when available
- Concepts
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In silico, Protease, Sea urchin, Docking (animal), Computational biology, Biology, Chemistry, Pharmacology, Biochemistry, Enzyme, Cell biology, Medicine, Nursing, GeneTop concepts (fields/topics) attached by OpenAlex
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2Total citation count in OpenAlex
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2021: 2Per-year citation counts (last 5 years)
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36Number of works referenced by this work
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10Other works algorithmically related by OpenAlex
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