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

Fatimawali; Rizky Ramadhan Maulana; Axl Laurens Lukas Windah; Irma Febrianti Wahongan; Sefren Geiner Tumilaar; Ahmad Akroman Adam; Billy Johnson Kepel; Widdhi Bodhi; Trina Ekawati Tallei

doi:10.1016/j.dib.2021.107049

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

Data Brief. 2021 Jun:36:107049. doi: 10.1016/j.dib.2021.107049. Epub 2021 Apr 14.

Authors

Fatimawali¹, Rizky Ramadhan Maulana¹, Axl Laurens Lukas Windah¹, Irma Febrianti Wahongan¹, Sefren Geiner Tumilaar¹, Ahmad Akroman Adam², Billy Johnson Kepel³, Widdhi Bodhi³, Trina Ekawati Tallei⁴

Affiliations

¹ Pharmacy Study Program, Faculty of Mathematics and Natural Sciences, Sam Ratulangi University, Manado 95115, Indonesia.
² Dentistry Study Program, Faculty of Medicine, Sam Ratulangi University, Manado 95115, Indonesia.
³ Department of Chemistry, Faculty of Medicine, Sam Ratulangi University, Manado 95115, Indonesia.
⁴ Department of Biology, Faculty of Mathematics and Natural Sciences, Sam Ratulangi University, Manado 95115, Indonesia.

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 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.

Keywords: Antiviral; Betel; Docking; In silico; Matcha green tea; Phytoconstituent; SARS-CoV-2.