In Silico Inhibitory Potential Of Xestoquinone From Sea Sponge Xestospongia Testudinaria Against Plasmodium Falciparum Plasmepsin Ii (Pfpm-Ii)

Abstract

Plasmodium falciparum resistance to artemisinin derivatives is increasing in Southeast Asian countries, prompting researchers to search for alternative antimalarial drugs in natural resources.The discovery of the active compound xestoquinone in sea sponge (Xestospongia testudinaria) as a novel regiment for malaria parasites. The objective of this study is to explore and observe the inhibitory outcomet of xestoquinone in sea sponges (Xestospongia testudinaria) against PfPM-II based on in silico method. As one-shot experimental study research, this research used three predictive analysis tests includes of: predictive analysis of active compound content, predictive analysis of the active compound mechanism of action, and predictive analysis of absorption, distribution, metabolism, and excretion of active substances. The analysis test used the PASS prediction method, STITCH DB version 5.0, Autodock Vina, Ligplot 2.1, and the SWISS ADME webserver. Based on the PASS prediction method shows that xestoquinone has a lower antimalarial potential than artemisinin. Xestoquinone's "binding affinity" was almost the same as artemisinin. The path analysis prediction proved that the inhibitory effect of the active compound xestoquinone on sea sponge (Xestospongia testudinaria) against PfPM-II was not proven. ADME analysis showed that xestoquinone met Lipinski's criteria, but the toxicity test showed toxicity class 4 which was more toxic than artemisinin. In conclusion, this study has proven that xestoquinone has anti-malarial effects, but not inhibiting PfPM-II and has a higher toxicity than artemisinin.