Nature as a Treasure Trove for Anti-COVID-19: Luteolin and Naringenin from Indonesian Traditional Herbal Medicine Reveal Potential SARS-CoV-2 Mpro Inhibitors Insight from in Silico Studies

11 December 2020, Version 1
This content is a preprint and has not undergone peer review at the time of posting.


Since the worldwide is currently facing the COVID-19 pandemic, there are no drugs or vaccines have been approved
for the treatment of SARS-CoV-2 infection. Therefore, there is an urgent need for in-depth research on emerging
human infectious coronaviruses. As part of our endeavour in combating this COVID-19 pandemic, in this paper, we
report on the discovery of an active antiviral small-molecule from Indonesian traditional herbal medicine used in Jamu
to inhibit 3CLpro of SARS-CoV-2 using in-silico approaches. As one of the mega biodiversity countries, Indonesia has
more than 1,180 species that can be prospected for medicine plants. Jamu, the Indonesian traditional herbal medicine,
is supposed to have similar potentials as those of traditional Chinese medicine (TCM). However, due to the lack of
scientific proof, Jamu is not recognised in the Guideline of COVID-19 Patients, particularly in Indonesia. Thus, in
this study, we performed virtual docking screening along with pharmacokinetic and DFT studies of selected 49
bioactive phytochemicals from several medicinal plants used in Jamu against the 3CLpro enzyme of SARS-CoV-2.
From the result, it was noted that from a set of 49 phytochemicals of medicinal plants used in Jamu, 2 phytochemicals,
i.e., Luteolin and Naringenin were identified as potential druggable inhibitors candidates of 3CLpro of SARS CoV-2.


DFT analyses
Molecular docking analysis

Supplementary materials

ESI Journal of Biomolecular Structure and Dynamics


Comments are not moderated before they are posted, but they can be removed by the site moderators if they are found to be in contravention of our Commenting Policy [opens in a new tab] - please read this policy before you post. Comments should be used for scholarly discussion of the content in question. You can find more information about how to use the commenting feature here [opens in a new tab] .
This site is protected by reCAPTCHA and the Google Privacy Policy [opens in a new tab] and Terms of Service [opens in a new tab] apply.