Garcinia cambogia phenolics as potent anti-COVID-19 agents: phytochemical profiling, biological activities, and molecular docking

Hanan Y. Aati, Ahmed Ismail, Mostafa E. Rateb*, Asmaa M. AboulMagd, Hossam M. Hassan*, Mona H. Hetta

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

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Abstract

COVID-19 is a disease caused by the coronavirus SARS-CoV-2 and became a pandemic in a critically short time. Phenolic secondary metabolites attracted much attention from the pharmaceutical industries for their easily accessible natural sources and proven antiviral activity. In our mission, a metabolomics study of the Garcinia cambogia Roxb. fruit rind was performed using LC-HRESIMS to investigate its chemical profile, especially the polar aspects, followed by a detailed phytochemical analysis, which led to the isolation of eight known compounds. Using spectrometric techniques, the isolated compounds were identified as quercetin, amentoflavone, vitexin, rutin, naringin, catechin, p-coumaric, and gallic acids. The antiviral activities of the isolated compounds were investigated using two assays; the 3CL-Mpro enzyme showed that naringin had a potent effect with IC50 16.62 μg/mL, followed by catechin and gallic acid (IC50 26.2, 30.35 μg/mL, respectively), while the direct antiviral inhibition effect of naringin confirmed the potency with an EC50 of 0.0169 μM. To show the molecular interaction, in situ molecular docking was carried out using a COVID-19 protease enzyme. Both biological effects and docking studies showed the hydrophobic interactions with Gln 189 or Glu 166, per the predicated binding pose of the isolated naringin.
Original languageEnglish
Article number2521
Number of pages10
JournalPlants
Volume11
Issue number19
DOIs
Publication statusPublished - 26 Sep 2022

Keywords

  • Garcinia cambogia
  • anti-COVID-19
  • 3CL-pro
  • molecular docking
  • chemical profiling

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