The coronavirus disease 2019 main protease inhibitor from Andrographis paniculata (Burm. f) Ness.

Autor: Sukardiman; Department of Pharmacognosy and Phytochemistry, Faculty of Pharmacy, Universitas Airlangga, Surabaya, Indonesia., Ervina M; Doctoral Program of Pharmaceutical Sciences, Faculty of Pharmacy, Universitas Airlangga, Surabaya, Indonesia.; Department of Pharmaceutical Biology, Faculty of Pharmacy, Widya Mandala Catholic University, Surabaya, Indonesia., Fadhil Pratama MR; Doctoral Program of Pharmaceutical Sciences, Faculty of Pharmacy, Universitas Airlangga, Surabaya, Indonesia.; Department of Pharmacy, Faculty of Health Sciences, Universitas Muhammadiyah Palangkaraya, Palangkaraya, Indonesia., Poerwono H; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Universitas Airlangga, Surabaya, Indonesia., Siswodihardjo S; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Universitas Airlangga, Surabaya, Indonesia.
Jazyk: angličtina
Zdroj: Journal of advanced pharmaceutical technology & research [J Adv Pharm Technol Res] 2020 Oct-Dec; Vol. 11 (4), pp. 157-162. Date of Electronic Publication: 2020 Oct 10.
DOI: 10.4103/japtr.JAPTR_84_20
Abstrakt: The coronavirus disease 2019 (COVID-19) pandemic has attracted worldwide attention. Andrographis paniculata (Burm. f) Ness (AP) is naturally used to treat various diseases, including infectious diseases. Its Andrographolide has been clinically observed for anti-HIV and has also in silico tested for COVID-19 main protease inhibitors. Meanwhile, the AP phytochemicals content also provides insight into the molecular structures diversity for the bioactive discovery. This study aims to find COVID-19 main protease inhibitor from AP by the molecular docking method and determine the toxicity profile of the compounds. The results obtained two compounds consisting of flavonoid glycosides 5,4'-dihydroxy-7-O- β -D-pyran-glycuronate butyl ester and andrographolide glycoside 3-O-β-D -glucopyranosyl-andrographolide have lower free binding energy and highest similarity in types of interaction with amino acid residues compared to its co-crystal ligands (6LU7) and Indinavir or Remdesivir. The toxicity prediction of the compounds also reveals their safety. These results confirm the probability of using AP phytochemical compounds as COVID-19 main protease inhibitors, although further research must be carried out.
Competing Interests: There are no conflicts of interest.
(Copyright: © 2020 Journal of Advanced Pharmaceutical Technology & Research.)
Databáze: MEDLINE
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