In silico Evaluation of Antimalarial from Bioactive Compounds of Bitter Melon (Momordica charantia L.) and Its Toxicity with Plasmodium falciparum Lactate Dehydrogenase (PfLDH) and Plasmepsin (Plm) Enzymes as Targets | Chapter 8 | Current Research and Development in Chemistry Vol. 2

Malaria is one of the important health problems in the world caused by intracellular obligate protozoa of the genus plasmodium. P. falciparum causes the most severe infections and the highest mortality rate. The previous in vivo and in vitro research of crude alkaloid on bitter melon fruit (Momordica charantia L.) can prove antimalarial activity in P. Falciparum but the active compound which suitable for this activity is unknown yet. This study aims to evaluate in silico of twenty-five (25) bioactive compounds of bitter melon (Momordica charantia L.) as an inhibitor of the PfLDH and Plasmepsin enzymes. The PfLDH enzyme catalyzes the conversion of pyruvate to lactate which is a source of energy for P. falciparum and the enzyme plasmepsin works by degrading hemoglobin to be a food source.  The method used is molecular docking with software PLANTS, YASARA, MarvinSketch, and visualization using VMD, PyMOL and YASARA. As a positive control, Hoslundal is used as a PfLDH inhibitor and Pepstatin as a Plasmepsin inhibitor. The results obtained five (5) candidates for active compounds as PfLDH inhibitors, namely cucurbitine, α-elaeostearic acid, gentisic acid, galacturonic acid and momordol with very low toxicity and there is no active compound candidates as Plasmepsin inhibitors.

Author(s) Details

Prof. Dr. Syamsudin Abdillah
Faculty of Pharmacy, Universitas Pancasila, Jakarta, Indonesia.

Esti Mumpuni
 Faculty of Pharmacy, Universitas Pancasila, Jakarta, Indonesia.

Rima Melati
Faculty of Pharmacy, Universitas Pancasila, Jakarta, Indonesia.

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