Data on the docking of phytoconstituents of betel plant and matcha green tea on SARS-CoV-2
Fatimawali Fatimawali, Rafi Maulana, Axl Laurens Lukas Windah, Irma Febrianti Wahongan, Sefren Geiner Tumilaar, Ahmad Akroman Adam, Billy J. Kepel, Widdhi Bodhi, Trina Ekawati Tallei
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.