Antimalarial Drug Mefloquine Strongly Inhibits PI3K (Phosphoinositide 3-kinase) and Exerts Anticancer Activity: A Literature based In Silico Study

Md. Sakib Al Hasan; Md Shimul Bhuia; Tanzila Akter Eity; Salehin Sheikh; Emon Mia; Sajal Roy; Noshin Tasnim Yana

doi:10.71193/jmct.20250004

Authors

Md. Sakib Al Hasan Department of Pharmacy, Gopalganj Science and Technology University, Gopalganj 8100, Bangladesh Author https://orcid.org/0009-0004-7560-4041
Md Shimul Bhuia Department of Pharmacy, Gopalganj Science and Technology University, Gopalganj 8100, Bangladesh Author https://orcid.org/0000-0002-6179-9720
Tanzila Akter Eity Bioinformatics and Drug Innovation Laboratory, BioLuster Research Center Ltd., Gopalganj 8100, Dhaka, Bangladesh Author https://orcid.org/0009-0009-0282-1818
Salehin Sheikh Department of Pharmacy, Gopalganj Science and Technology University, Gopalganj 8100, Bangladesh Author https://orcid.org/0009-0002-3705-6967
Emon Mia Department of Pharmacy, Gopalganj Science and Technology University, Gopalganj 8100, Bangladesh Author https://orcid.org/0009-0007-7390-056X
Sajal Roy Bioinformatics and Drug Innovation Laboratory, BioLuster Research Center Ltd., Gopalganj 8100, Dhaka, Bangladesh Author
Noshin Tasnim Yana Department of Pharmacy, Gopalganj Science and Technology University, Gopalganj 8100, Bangladesh Author https://orcid.org/0009-0006-3083-0533

DOI:

https://doi.org/10.71193/jmct.20250004

Keywords:

Cancer, Mefloquine, Molecular docking, PI3K inhibitor, Pharmacokinetics

Abstract

Mefloquine (MFQ) is an effective medication for the prevention and treatment of malaria. However, it has anticancer effects found in the literature. The main focus of this study is to review the anticancer activity of MFQ and also find the macromolecules or receptors that are mainly responsible for anticancer activity. For this reason, data was gathered (as of June 30, 2024) by utilizing a variety of reliable and well-known search engines. The molecular docking of MFQ with the selected macromolecules was performed. Our study findings showed that MFQ strongly showed anticancer activity by inhibiting proliferation, tumor growth, mitochondrial respiration, PI3K, MMP, IKK activation, Bcl-2, MCl-1, XIAP, and induced cell death, apoptosis, ROS, and PARP. In addition, an in silico study demonstrated that MFQ showed the highest binding affinity (–8.7 kcal/mol) against PI3K, whereas co-crystal ligand exhibited –8.6 kcal/mol binding affinity. The study also predicted that MFQ has better pharmacokinetics and toxicity parameters. However, we recommend additional evaluation and clinical research to further explore MFQ as a reliable PI3K inhibitor and an anticancer agent.

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Author Biographies

Md. Sakib Al Hasan, Department of Pharmacy, Gopalganj Science and Technology University, Gopalganj 8100, Bangladesh

Md. Sakib Al Hasan is a B. Pharm. student in Pharmacy at GSTU, Gopalganj 8100, Bangladesh. He is also working as Financial and Documentation Officer at BioLuster Research Center Ltd., Dhaka, Bangladesh. He is mainly interested in cancer, neurology, computational drug design, in silico studies, vaccine designing and natural compounds.
Md Shimul Bhuia, Department of Pharmacy, Gopalganj Science and Technology University, Gopalganj 8100, Bangladesh

Md. Shimul Bhuia is a dedicated pharmaceutical researcher with a B.Pharm and M.Pharm from Gopalganj Science and Technology University, Gopalganj, Bangladesh, under the Department of Pharmacy. Currently, he serves as the Deputy Director at BioLuster Research Center Ltd., a non-profit organization focused on advancing drug discovery and biomedical research. His primary research interests lie in the exploration of natural compounds for drug discovery, neuroscience, and medicinal chemistry. With a strong commitment to innovation and scientific excellence, he aims to contribute to the development of novel therapeutic agents that can address unmet medical needs and improve global health outcomes