Sunday , February 5 2023

& # 39; Artificial intelligence to promote malaria drug development


The researchers have developed a comprehensive drug discovery pipeline for malaria using next-generation AI.

Malaria is still one of the oldest epidemics in the world that causes many health problems in tropical countries, according to a study published in the journal Science. Malaria is one of the oldest epidemics in the world.

Plasmodium falciparum, the most dangerous human malaria parasite, is estimated to cause tens of millions of deaths and about 500,000 deaths a year, said a researcher at Insilico Medicine Taiwan.

Plasmodium falciparum causes human malaria by destroying human hemoglobin via falcipain-2 (FP2).

FP2 inhibitors have suggested that FP2 inhibition is the goal of anti-malarial therapy by blocking hemoglobin breakdown and parasite development.

Control over malaria has been hampered by increasing resistance to the available drugs of malaria parasites, they said.

New anti-malarials are urgently needed to combat new target substances.

To address this challenge, the Insilico researchers in Taiwan have extensively studied the mechanism by which the protease inhibitor E64 approaches, interacts with, and inhibits FP2.

Due to the potency of E64, its mechanism of action and the potential of E64 derivatives with low toxicity in humans, E64 and its derivatives potentially have the potential to treat new drug candidates as a major cause of high levels of cysteine ​​protease.

Studies have shown that the combination of E64 and FP2 is facilitated by the amino acid of FP2 located near the binding pocket of previously identified FP2.

This suggests that the anti-malarial drug design should not only focus on finding drug candidates that will tightly bind to the residues of the binding pockets in which they are established, but should also consider the need to bind the drug candidates to residues surrounding the established binding pocket subsites do .

"Insilico Taiwan is delighted to announce research on malaria that can help save millions of lives," said Artur Kadurin, CEO of Insilico Medicine Taiwan in Taiwan.

Studies show that E64 can inhibit FP2 and very favorably explains physicochemical factors for the interaction of E64 and FP2.

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