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 Mpro, and matcha green tea was evaluated against five target receptors of SARS-CoV-2 as f...

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Veröffentlicht in:Data in brief 2021-06, Vol.36, p.107049-107049, Article 107049
Hauptverfasser: 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
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Sprache:eng
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Zusammenfassung: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 Mpro, 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 (Mpro), RNA-dependent RNA polymerase (RdRp), dan papain-like protease (PLpro). 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.
ISSN:2352-3409
2352-3409
DOI:10.1016/j.dib.2021.107049