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

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 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.

Identification of bioactive molecules from Triphala (Ayurvedic herbal formulation) as potential inhibitors of SARS-CoV-2 main protease (Mpro) through computational investigations

“…Lipinski's rule of five (Ro5) is a set of rules used to assess the drug-likeness of a chemical compound that has a pharmacological activity that could lead to it being an orally active drug for human use ( Lipinski et al, 2001 , Kalita et al, 2020 ). The Ro5 specifies that the molecular weight must be less than 500 Da, the number of H-bond donors must be less than 5, the number of H-bond acceptor must be less than 10, the xlogP must be less than 5, and the molar refractivity must be between 40 and 130 ( Fatimawali et al, 2021 , Kashyap et al, 2016 , Sefren Geiner et al, 2020 ). Regarding this statement, Table 3 indicates that only compound X77 appears to meet the Ro5 criteria.…”

Penyuluhan dan Pelatihan Pembuatan Jamu Sehat Pada Kelompok UMKM PKK Lingkungan VII Kelurahan Malendeng Manado

“…Jamu adalah obat tradisional yang disediakan secara tradisional, umumnya dalam bentuk serbuk seduhan atau cairan yang berisi seluruh bahan tanaman yang menjadi penyusun jamu tersebut serta digunakan secara tradisional, dibuat dengan mengacu pada resep peninggalan leluhur yang terdiri atas berbagai tanaman obat yang jumlahnya cukup banyak, berkisar antara 5-7 macam bahkan lebih, yang dengan bukti empiris digunakan secara turun temurun selama puluhan sampai ratusan tahun telah dibuktikan manfaat secara langsung serta keamanannya untuk tujuan Kesehatan tertentu, walaupun demikian tetap memerlukan pembuktian secara ilmiah (Fatimawali et al, 2020).…”

Immunomodulatory potential of bioactive compounds of betel leaf extract targeting COVID-19 immunological human host proteins: An in silico study

“…Our previous study used gas chromatography-mass spectrometry to identify bioactive compounds in betel leaves (Fatimawali et al, 2021). These compounds are used in present studies as ligands.…”