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Data on the docking of phytoconstituents of betel plant and matcha green tea on SARS-CoV-2.
Maulana, Rizky Ramadhan; Windah, Axl Laurens Lukas; Wahongan, Irma Febrianti; Tumilaar, Sefren Geiner; Adam, Ahmad Akroman; Kepel, Billy Johnson; Bodhi, Widdhi; Tallei, Trina Ekawati.
Afiliação
  • Fatimawali; Pharmacy Study Program, Faculty of Mathematics and Natural Sciences, Sam Ratulangi University, Manado 95115, Indonesia.
  • Maulana RR; Pharmacy Study Program, Faculty of Mathematics and Natural Sciences, Sam Ratulangi University, Manado 95115, Indonesia.
  • Windah ALL; Pharmacy Study Program, Faculty of Mathematics and Natural Sciences, Sam Ratulangi University, Manado 95115, Indonesia.
  • Wahongan IF; Pharmacy Study Program, Faculty of Mathematics and Natural Sciences, Sam Ratulangi University, Manado 95115, Indonesia.
  • Tumilaar SG; Pharmacy Study Program, Faculty of Mathematics and Natural Sciences, Sam Ratulangi University, Manado 95115, Indonesia.
  • Adam AA; Dentistry Study Program, Faculty of Medicine, Sam Ratulangi University, Manado 95115, Indonesia.
  • Kepel BJ; Department of Chemistry, Faculty of Medicine, Sam Ratulangi University, Manado 95115, Indonesia.
  • Bodhi W; Department of Chemistry, Faculty of Medicine, Sam Ratulangi University, Manado 95115, Indonesia.
  • Tallei TE; Department of Biology, Faculty of Mathematics and Natural Sciences, Sam Ratulangi University, Manado 95115, Indonesia.
Data Brief ; 36: 107049, 2021 Jun.
Article em En | MEDLINE | ID: mdl-33869690
ABSTRACT
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.
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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2021 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2021 Tipo de documento: Article