Studi Aktivitas Antimalaria Senyawa Metabolit Sekunder Artemisia Annua Menggunakan Metode Autodock4 dan ADFR

Jafar La Kilo, La Ode Aman, Putriani Bua, Akram La Kilo

Abstract


Malaria is a disease caused by protozoa with the genus Plasmodium. The type of Plasmodium falciparum is a parasite that causes the onset of serious infections with high mortality. This study aims to identify secondary metabolite compounds Artemisia Annua that have the ability to inhibit the growth of Plasmodium falciparum. The protein Plasmodium Falciparum Lactate Dehydrogenase (PfLDH) with the natural ligand 2,6-naphthalenedicarboxylic acid has been considered as a potential molecular target for antimalarials due to the parasite's dependence on glycolysis for energy production. The methods used are Autodock4 and ADFR. Validation of the PfLDH protein docking method with NDD natural ligands resulted in an RMSD value of 1.06 Ã…. The best molecular docking results of Autodock4 and ADFR were obtained from Artennuic Acid test ligands under the name IUPAC (2-[(1R,4R,4aS,8aR)- 4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]prop-2-enoicacid) and Quing Hau Sau under the name IUPAC((4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-1,14,15,16-tetraoxatetracyclo [10.3.1.04,13.08,13] hexadecan-10-one) has energy affinity values of - 6.87 kcal/mol and -7.06 kcal/mol and -7.03 kcal/mol and -6.94 kcal/mol, respectively. The affinity value produced from autodocking 4 had a difference with the ADFR docking result, the Arteannuic Acid test ligand obtained the smallest energy affinity value in the ADFR docking result while the Quing Hau Sau test ligand obtained the largest energy affinity value in the ADFR docking result.

Keywords


Antimalaria; Plasmodium falciparum; Artemisia annua; Autodock4; ADFR

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DOI: https://doi.org/10.37311/ijpe.v4i2.26964

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