@article{Putra_Chaidir_Hanafi_Yanuar_2017, title={PREDICTED BINDING MODE OF ANDROGRAPHOLIDE AND ITS DERIVATIVES BOUND TO PLASMODIUM FALCIPARUM GERANYLGERANYL PYROPHOSPHATE SYNTHASE}, volume={9}, url={https://journals.innovareacademics.in/index.php/ijap/article/view/23304}, DOI={10.22159/ijap.2017.v9s1.54_60}, abstractNote={<p>Objective: Andrographolide is a major secondary metabolite in the Indonesian herb sambiloto (<em>Andrographis</em> <em>paniculata</em>). It displays a moderate antiplasmodial activity against the chloroquine-resistant strain of <em>Plasmodium falciparum</em>. This study aimed to investigate andrographolide inhibition of geranylgeranyl pyrophosphate synthase (GGPPS) by andrographolide molecular docking.<br>Methods: A comparative modeling of <em>P. falciparum</em> GGPPS was conducted using one of the <em>Plasmodium vivax</em> GGPPS crystal structures as a template. The best model from this comparative modeling was then used in a molecular docking to investigate the binding mode of andrographolide in the <em>P. falciparum</em> GGPPS active site.<br>Results: In the <em>P. falciparum</em> GGPPS active site, andrographolide is situated with its double rings pointing toward the hydrophobic pocket, while its lactone group is positioned between first aspartate-rich motif and second aspartate-rich motif of the catalytic pocket.<br>Conclusions: In the active site, andrographolide is situated with its double rings pointing toward the hydrophobic pocket, while its lactone group is positioned in the catalytic pocket.</p>}, journal={International Journal of Applied Pharmaceutics}, author={Putra, Andrianopsyah Mas Jaya and Chaidir, Chaidir and Hanafi, Muhammad and Yanuar, Arry}, year={2017}, month={Oct.}, pages={94–97} }