Researchers have developed an end-to-end drug discovery pipeline for malaria by using the next generation artificial intelligence (AI).
Malaria is one of the oldest infectious diseases that still causes a lot of health problems in many tropical countries, according to the research published in the journal Scientific Reports.
Plasmodium falciparum, the most dangerous human malaria parasite, is about half a million deaths a year, said researchers from Insilico Medicine Taiwan.
Plasmodium falciparum causes malaria in humans by destroying human hemoglobin through falcipain-2 (FP2).
Inhibitors of FP2 block hemoglobin destruction and parasite development, suggesting that FP2 inhibition promises a target for antimalarial therapy, researchers said.
The control of malaria has been protected by increasing resistance of malaria parasites to available drugs, they said.
New antimalarial drugs, ideal directed against new targets, are urgently needed.
To encounter this challenge, researchers from Insilico Taiwan have extensively studied the mechanisms by which the protease inhibitors E64 approaches, interacts with, and inhibits FP2.
The effectiveness of E64, the mechanism of action, makes E64 and its derivatives a potential cause for treating diseases with high levels of cysteine proteases as a primary cause.
Results of the study have shown that the pocket of FP2 is located at the center of FP2.
This suggests that the antimalarial drug design that is not only a finding drug candidates is tight, but also consider the need for a drug candidate to be able to be able to be able to be banned. .
"Insilico Taiwan is happy to present the work on malaria, which can potentially help save millions of lives," said Artur Kadurin, CEO of Insilico Medicine in Taiwan.
Results of the study confirm that E64 is able to inhibit FP2, and that the factors of E64 are extremely favorable.