Original Article |
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The anti-venom potential of Andrographis paniculata (Burm.f.) Nees roots and its constituent skullcapflavone IMaria Carmen S. Tan, Raymond S. Malabed, Francisco C. Franco Jr., Yves Ira A. Reyes, Daisylyn Senna Tan, Glenn G. Oyong, Chien-Chang Shen, Consolacion Y. Ragasa. Abstract | | | Cited by 2 Articles | The antivenom activity of Andrographis paniculata (Burm.f.) Nees roots (APR) dichloromethane crude extracts and a promising APR constituent, skullcapflavone I (SKI) was investigated by monitoring the inhibition of secretory phospholipase A2 (sPLA2) of N. philippinensis Taylor venom (NPV) crystallized samples. Gas chromatography-mass spectrometry was used for characterization of extracts while molecular docking was utilized to understand anti-venom properties. Chromatographic analyses primarily revealed the presence of methoxylated flavones. NPV was found to have sPLA2 activity (0.0796 ± 0.0018 μmol/min/mL) that has been attributed to the poisonous effects. SKI (IC50: 51.1 ± 3.5 μg/mL), isolated from APR showed strong inhibitory effect on phospholipase activity compared to dichloromethane extracts of APR (IC50: 192.7 ± 10.9 μg/mL) indicating that SKI was the cause of the bioactivity in APR. Molecular docking simulations showed corresponding results with highly negative binding energies (-6.59 to -8.72 kcal/mol) predicted for the binding of SKI to PLA2 proteins. An important trend found was the presence of free bound Ca2+ lowered binding energies signifying that Ca2+ a has role in the binding of the SKI to PLA2 proteins. The anti-venom property of APR and the pure compound SKI, upon further studies, could be the first line of defense in the medical protocol of snake venom neutralization.
Key words: Andrographis paniculata (Burm.f.) Nees, Naja philippinensis Taylor, gas chromatography-electron ionization-mass spectrometry, secretory phospholipase A2, docking and cluster analysis
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