'Artificial intelligence may boost malaria drug discovery'

| | Beijing
  • 0

'Artificial intelligence may boost malaria drug discovery'

Tuesday, 13 November 2018 | PTI | Beijing

'Artificial intelligence may boost malaria drug discovery'

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 world's 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 believed to cause hundreds of millions of illnesses and about half a million deaths a year, said researchers from Insilico Medicine Taiwan.

Plasmodium falciparum causes malaria in humans by destroying human haemoglobin through falcipain-2 (FP2).

Inhibitors of FP2 block haemoglobin destruction and parasite development, suggesting that FP2 inhibition is a promising target for antimalarial therapy, researchers said.

The control of malaria has been hindered by increasing resistance of malaria parasites to available drugs, they said.

New antimalarial drugs, ideally directed against new targets, are urgently needed.

To encounter this challenge, researchers from Insilico Taiwan have extensively studied the mechanisms by which the protease inhibitor E64 approaches, interacts with, and inhibits FP2.

The effectiveness of E64, its mechanism of action, and the potentials of the derivatives of E64 to have low toxicity in humans make E64 and its derivatives potential drug candidates to treat diseases with high levels of cysteine proteases as a primary cause.

Results of the study have shown that the binding of E64 and FP2 are facilitated by the amino acids of FP2 located within and nearby the previously identified binding pocket of FP2.

This suggests that the antimalarial drug design should not only focus on finding drug candidates that will bind tightly to the residues of established binding pocket, but also consider the need for the drug candidate to be able to bind to the residues surrounding the established binding pocket subsites.

"Insilico Taiwan is happy to present the work on malaria which potentially can help save millions of lives," said Artur Kadurin, CEO Insilico Medicine Taiwan.

Results of the study confirm that E64 is able to inhibit FP2, and explains in detail the physicochemical factors of E64's interaction with FP2 as extremely favourable.

State Editions

700-gram baby gets new life in city hosp

28 September 2022 | PNS | Bhubaneswar

Sahoo’s smart watch, CCTV disk sent for test

28 September 2022 | PNS | Bhubaneswar

More thundershowers to lash State

28 September 2022 | PNS | Bhubaneswar

CM in B’luru; Investors’ Meet today

28 September 2022 | PNS | Bhubaneswar

Shreemandir land records to be digitised

28 September 2022 | PNS | Bhubaneswar

BBSR-Tirupati train from Oct 1

28 September 2022 | PNS | Bhubaneswar

Sunday Edition

Time to tame the rabble rousers

25 September 2022 | Navin Upadhyay | Agenda

Decode ‘those’ genes

25 September 2022 | HEALTH PIONEER | Agenda

COVID-19 Pandemic: The Battles India Won

25 September 2022 | Prof (Dr) Balram Bhargava | Agenda

NEWS BRIEF

25 September 2022 | HEALTH PIONEER | Agenda

Tobacco ads: Celebrities shirk moral responsibility

25 September 2022 | Nibedita Priyadarshini Jena | Agenda

Address fault lines, Raja yoga will bear fruit

25 September 2022 | Bharat Bhushan Padmadeo | Agenda