Targeting <i>Plasmodium falciparum</i> Schizont Egress Antigen-1 in Infected Red Blood Cells: Docking-Based Fingerprinting, Density Functional Theory, Molecular Dynamics Simulations, and Binding Free Energy Analysis

Targeting <i>Plasmodium falciparum</i> Schizont Egress Antigen-1 in Infected Red Blood Cells: Docking-Based Fingerprinting, Density Functional Theory, Molecular Dynamics Simulations, and Binding Free Energy Analysis

<b>Background:</b> Malaria remains a global health crisis, with the World Health Organization (WHO) reporting 241 million cases and 627,000 deaths worldwide in 2020, predominantly affecting Sub-Saharan Africa. The region accounted for 95% of cases and 96% of deaths, reflecting the immens...

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Detalles Bibliográficos
Autores principales: Hassan H. Almasoudi, Mohammed H. Nahari
Formato: Artículo
Lenguaje:English
Publicado: MDPI AG 2025-02-01
Colección:Pharmaceuticals
Materias:
PfSEA-1
structural modelling
docking
pharmacokinetics
MD simulation
MMGBSA
Acceso en línea:https://www.mdpi.com/1424-8247/18/2/237

Internet

https://www.mdpi.com/1424-8247/18/2/237

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