INHIBITORY ACTIVITY OF BIOACTIVE COMPOUNDS IN BLACK SEA CUCUMBER (HOLOTHURIA ATRA) AGAINST FALCIPAIN-2 PROTEIN IN PLASMODIUM FALCIPARUM AS ANTIMALARIA BASED ON IN SILICO STUDY

Abstract

malaria treatment, one of which is Holothuria atra. Indonesia is reported as the second-largest contributor to malaria in the Asian. Plasmodium falciparum is the most common malaria-causing parasite in Indonesia. The high incidence of resistance of the malaria parasite Plasmodium falciparum to malaria drugs makes the bioactive compounds in Holothuria atra a very advantageous discovery as a new antimalarial drug. Objective: to determine the inhibitory effects of active compounds in Holothuria atra on the development of Plasmodium falciparum based on in silico studies. Method: The research design used was a one-shot experimental study, contained several stages, including protein and ligand preparation; prediction of bioactive compound potential and target protein; molecular docking and visualization of docking results; and prediction of drug-likeness and absorption, distribution, metabolism, excretion, toxicity (ADMET) Results: Based on the test results, the active compounds are chlorogenic acid, catechin, rutin, coumaric acid, pyrogallol, and ascorbic acid, show inhibition of Falcipain-2, which is used to degrade hemoglobin and erythrocytes in the acidic digestive vacuole. Chlorogenic acid and catechin have the highest binding affinity values. The ADME analysis show that four active compounds, are catechin, coumaric acid, pyrogallol, and ascorbic acid, comply the Lipinski criteria, making them potential candidates for oral drugs. Catechin is the safest compound classified as class 6 toxicity (non-toxic). Conclusion: The research that has been carried out describes the results, that Holothuria atra has the potential to be an antimalarial drug