Computational screening of natural inhibitors against Plasmodium falciparum kinases: Toward novel antimalarial therapies

Muharib Alruwaili; Sonia Younas; Abozer Y. Elderdery; Intisar Alruwaili; Jeremy Millis; Muhammad Umer Khan; Hasan Ejaz

doi:10.1371/journal.pone.0339317

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Open Access

Peer-reviewed

Research Article

Computational screening of natural inhibitors against Plasmodium falciparum kinases: Toward novel antimalarial therapies

Muharib Alruwaili ,

Roles Data curation, Methodology, Software, Visualization

* E-mail: mfalrwaili@ju.edu.sa (MA); muhammad.umer4@mlt.uol.edu.pk (MUK)

Affiliation Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, Jouf University, Sakaka, Saudi Arabia

https://orcid.org/0009-0007-7858-8288

⨯
Sonia Younas,

Roles Data curation, Investigation, Methodology, Resources

Affiliations Centre for Immunology and Infection (C2i), Hong Kong Science and Technology Park, Hong Kong, SAR China, HKU-Pasteur Research Pole, School of Public Health, LKS Faculty of Medicine, The University of Hong Kong, Hong Kong, SAR China
⨯
Abozer Y. Elderdery,

Roles Data curation, Software, Writing – original draft

Affiliation Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, Jouf University, Sakaka, Saudi Arabia
⨯
Intisar Alruwaili,

Roles Formal analysis, Methodology, Software, Writing – original draft

Affiliation Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, Jouf University, Sakaka, Saudi Arabia
⨯
Jeremy Millis,

Roles Conceptualization, Project administration, Resources, Software

Affiliation School of Medicine, Pharmacy and Biomedical Sciences, University of Portsmouth, Portsmouth, United Kingdom

https://orcid.org/0000-0003-1719-9047

⨯
Muhammad Umer Khan ,

Roles Conceptualization, Project administration, Supervision, Writing – review & editing

* E-mail: mfalrwaili@ju.edu.sa (MA); muhammad.umer4@mlt.uol.edu.pk (MUK)

Affiliation Institute of Molecular Biology and Biotechnology, The University of Lahore, Lahore, Pakistan

https://orcid.org/0000-0001-6289-5207

⨯
Hasan Ejaz

Roles Conceptualization, Project administration, Supervision, Writing – review & editing

Affiliation Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, Jouf University, Sakaka, Saudi Arabia

https://orcid.org/0000-0002-6185-2042

⨯

Computational screening of natural inhibitors against Plasmodium falciparum kinases: Toward novel antimalarial therapies

Muharib Alruwaili,
Sonia Younas,
Abozer Y. Elderdery,
Intisar Alruwaili,
Jeremy Millis,
Muhammad Umer Khan,
Hasan Ejaz

Published: January 13, 2026
https://doi.org/10.1371/journal.pone.0339317

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Antimalarials
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Biochemical simulations
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Plasmodium
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Protein structure
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