The World Health Organization recorded 323,610,370 COVID-19 cases, with 5,529,693 fatalities. SARS-CoV-2 is one of seven coronaviruses known to cause severe lower respiratory tract dysfunction. One of the most well-known and widely disseminated plant species is Moringa oleifera Lam. (Moringaceae family). The 3D crystallographic structure of the COVID-19 receptor (PDB ID-6M71, 6VYO, 6VYB, and 6Y2F) was obtained from the Protein Data Bank and utilized as a protein target for in-silico experiments. Molecular docking was performed using Auto Dock 4 and AutoDock Vina. A blind docking approach was employed to encompass all possible ligand binding sites. The binding free energy (kcal/mol) was utilized to calculate the binding affinity.
This study reveals that M. oleifera, a polyphenolic compound, may possess antiviral activity against the COVID-19 receptor responsible for SARS-CoV-2 disease, as predicted in silico. Molecular docking data suggests that Anthraquinone (-7.4, -7.8, -7.7, -8.3 Kcal/mol) and Sitogluside (-7.4, -7.1, -8.4, -7.3 Kcal/mol) have greater activity than Serpentine (-7.2, -7.6, -6.8, -7.5 Kcal/mol). They have good binding energy and they are good energy boosters in COVID-19 disease.
Keywords: Anthraquinone, sitogluside, serpentine, Moringa oleifera, COVID-19.
How to cite this article: Koparde AA, Mali RA, Jagdale VR, Shinde NA, Ghate SV. In silico screening of bioactive compounds derived from Moringa oleifera against SARS-CoV-2. Int J Drug Deliv Technol. 2026;16(7s): 485-494; DOI: 10.25258/ijddt.16.7s.53
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Conflict of interest: None