Data on the docking of phytoconstituents of betel plant and matcha green tea on SARS-CoV-2

Betel (Piper betle L.) and green tea (Camellia sinensis (L) O. Kuntze) have been used for a long time as traditional medicine. The docking of phytoconstituents contained in the betel plant was evaluated against M(pro), and matcha green tea was evaluated against five target receptors of SARS-CoV-2 as...

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Autores principales: Fatimawali, Maulana, Rizky Ramadhan, Windah, Axl Laurens Lukas, Wahongan, Irma Febrianti, Tumilaar, Sefren Geiner, Adam, Ahmad Akroman, Kepel, Billy Johnson, Bodhi, Widdhi, Tallei, Trina Ekawati
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2021
Materias:
Data Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8043915/
https://www.ncbi.nlm.nih.gov/pubmed/33869690
http://dx.doi.org/10.1016/j.dib.2021.107049
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author Fatimawali
Maulana, Rizky Ramadhan
Windah, Axl Laurens Lukas
Wahongan, Irma Febrianti
Tumilaar, Sefren Geiner
Adam, Ahmad Akroman
Kepel, Billy Johnson
Bodhi, Widdhi
Tallei, Trina Ekawati
author_facet Fatimawali
Maulana, Rizky Ramadhan
Windah, Axl Laurens Lukas
Wahongan, Irma Febrianti
Tumilaar, Sefren Geiner
Adam, Ahmad Akroman
Kepel, Billy Johnson
Bodhi, Widdhi
Tallei, Trina Ekawati
author_sort Fatimawali
collection PubMed
description Betel (Piper betle L.) and green tea (Camellia sinensis (L) O. Kuntze) have been used for a long time as traditional medicine. The docking of phytoconstituents contained in the betel plant was evaluated against M(pro), and matcha green tea was evaluated against five target receptors of SARS-CoV-2 as follows: spike ectodomain structure (open state), receptor-binding domain (RDB), main protease (M(pro)), RNA-dependent RNA polymerase (RdRp), dan papain-like protease (PL(pro)). The evaluation was carried out based on the value of binding-free energy and the types of interactions of the amino acids at the receptors that interact with the ligands.
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spelling pubmed-80439152021-04-14 Data on the docking of phytoconstituents of betel plant and matcha green tea on SARS-CoV-2 Fatimawali Maulana, Rizky Ramadhan Windah, Axl Laurens Lukas Wahongan, Irma Febrianti Tumilaar, Sefren Geiner Adam, Ahmad Akroman Kepel, Billy Johnson Bodhi, Widdhi Tallei, Trina Ekawati Data Brief Data Article Betel (Piper betle L.) and green tea (Camellia sinensis (L) O. Kuntze) have been used for a long time as traditional medicine. The docking of phytoconstituents contained in the betel plant was evaluated against M(pro), and matcha green tea was evaluated against five target receptors of SARS-CoV-2 as follows: spike ectodomain structure (open state), receptor-binding domain (RDB), main protease (M(pro)), RNA-dependent RNA polymerase (RdRp), dan papain-like protease (PL(pro)). The evaluation was carried out based on the value of binding-free energy and the types of interactions of the amino acids at the receptors that interact with the ligands. Elsevier 2021-04-14 /pmc/articles/PMC8043915/ /pubmed/33869690 http://dx.doi.org/10.1016/j.dib.2021.107049 Text en © 2021 The Authors. Published by Elsevier Inc. https://creativecommons.org/licenses/by-nc-nd/4.0/This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Data Article
Fatimawali
Maulana, Rizky Ramadhan
Windah, Axl Laurens Lukas
Wahongan, Irma Febrianti
Tumilaar, Sefren Geiner
Adam, Ahmad Akroman
Kepel, Billy Johnson
Bodhi, Widdhi
Tallei, Trina Ekawati
Data on the docking of phytoconstituents of betel plant and matcha green tea on SARS-CoV-2
title Data on the docking of phytoconstituents of betel plant and matcha green tea on SARS-CoV-2
title_full Data on the docking of phytoconstituents of betel plant and matcha green tea on SARS-CoV-2
title_fullStr Data on the docking of phytoconstituents of betel plant and matcha green tea on SARS-CoV-2
title_full_unstemmed Data on the docking of phytoconstituents of betel plant and matcha green tea on SARS-CoV-2
title_short Data on the docking of phytoconstituents of betel plant and matcha green tea on SARS-CoV-2
title_sort data on the docking of phytoconstituents of betel plant and matcha green tea on sars-cov-2
topic Data Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8043915/
https://www.ncbi.nlm.nih.gov/pubmed/33869690
http://dx.doi.org/10.1016/j.dib.2021.107049
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