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

Sukardiman; Martha Ervina; Mohammad Rizki Fadhil Pratama; Hadi Poerwono; Siswandono Siswodihardjo

doi:10.4103/japtr.JAPTR_84_20

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ORIGINAL ARTICLE

Year : 2020 | Volume : 11 | Issue : 4 | Page : 157-162

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

Sukardiman¹, Martha Ervina², Mohammad Rizki Fadhil Pratama³, Hadi Poerwono⁴, Siswandono Siswodihardjo⁴
¹ Department of Pharmacognosy and Phytochemistry, Faculty of Pharmacy, Universitas Airlangga, Surabaya, Indonesia
² Doctoral Program of Pharmaceutical Sciences, Faculty of Pharmacy, Universitas Airlangga; Department of Pharmaceutical Biology, Faculty of Pharmacy, Widya Mandala Catholic University, Surabaya, Indonesia
³ Doctoral Program of Pharmaceutical Sciences, Faculty of Pharmacy, Universitas Airlangga, Surabaya; Department of Pharmacy, Faculty of Health Sciences, Universitas Muhammadiyah Palangkaraya, Palangkaraya, Indonesia
⁴ Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Universitas Airlangga, Surabaya, Indonesia

Correspondence Address:
Prof. DR. Sukardiman
Faculty of Pharmacy, Universitas Airlangga, Campus C Unair Jl. DR. Ir. H. Soekarno Mulyorejo, Surabaya 60115
Indonesia

Source of Support: None, Conflict of Interest: None

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DOI: 10.4103/japtr.JAPTR_84_20

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.

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