Computational Workflow to Design Novel Vaccine Candidates and Small-Molecule Therapeutics for Schistosomiasis DOI Creative Commons
E.O. Balogun, G. Joseph,

Samuel Charles Olabode

et al.

Pathogens, Journal Year: 2024, Volume and Issue: 13(10), P. 850 - 850

Published: Sept. 30, 2024

Human schistosomiasis, caused by the Schistosoma trematode, is a neglected parasitic disease affecting over 250 million people worldwide. There no vaccine, and single available drug threatened resistance. This study presents computational approach to designing multiepitope vaccines (MEVs) targeting cercarial (CMEV) schistosomular (SMEV) stages of schistosomes, identifies potential schistosomicidal compounds from Medicine for Malaria Ventures (MMV) SuperNatural Database (SND) libraries. The designed (CMEV SMEV) are engineered provoke robust immune responses incorporating blend T- B-cell epitopes. Structural immunoinformatics evaluations predicted interactions CMEV SMEV with key receptors prolonged responses. In addition, molecular docking identified several MMV SND libraries strong binding affinities vital cathepsin proteases, indicating their as agents. Our findings contribute development effective drugs against schistosomiasis.

Language: Английский

Computational Workflow to Design Novel Vaccine Candidates and Small-Molecule Therapeutics for Schistosomiasis DOI Creative Commons
E.O. Balogun, G. Joseph,

Samuel Charles Olabode

et al.

Pathogens, Journal Year: 2024, Volume and Issue: 13(10), P. 850 - 850

Published: Sept. 30, 2024

Human schistosomiasis, caused by the Schistosoma trematode, is a neglected parasitic disease affecting over 250 million people worldwide. There no vaccine, and single available drug threatened resistance. This study presents computational approach to designing multiepitope vaccines (MEVs) targeting cercarial (CMEV) schistosomular (SMEV) stages of schistosomes, identifies potential schistosomicidal compounds from Medicine for Malaria Ventures (MMV) SuperNatural Database (SND) libraries. The designed (CMEV SMEV) are engineered provoke robust immune responses incorporating blend T- B-cell epitopes. Structural immunoinformatics evaluations predicted interactions CMEV SMEV with key receptors prolonged responses. In addition, molecular docking identified several MMV SND libraries strong binding affinities vital cathepsin proteases, indicating their as agents. Our findings contribute development effective drugs against schistosomiasis.

Language: Английский

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