In silico prediction of the action of bromelain on PI3K/Akt signalling pathway to arrest nasopharyngeal cancer oncogenesis

Sep 22, 2026

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Objective investigates bromelain, an aqueous extract from pineapple stems and fruits, as a potential anti-tumour agent against nasopharyngeal cancer (NPC), where its effects remain insufficiently explored. Results apply in silico interaction prediction to key NPC oncogenesis proteins (β-catenin, PIK3CA, mTOR, EGFR, BCL2) using molecular docking and binding-affinity evaluation. Docking scores and LigPlot+ analyses indicate stable interactions. Conclusion supports bromelain targeting key drivers of NPC via modulation of the PI3K/Akt signalling pathway.

LanguageEnglish

CategoryResearch & Report

FormatPDF

Pages8

Reading Time20 min

AccessFree to download

Abstract

Introduction

Methods

Preparation of the Bromelain structure

Shamsuri and Sim BMC Research Notes (2024) 17:346 BMC Research Notes [https://doi.org/10.1186/s13104-024-06995-2](https://doi.org/10.1186/s13104-024-06995-2) RESEARCH NOTE Open Access In silico prediction of the action of bromelain on PI3K/Akt signalling pathway to arrest nasopharyngeal cancer oncogenesis by targeting phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha protein Alyaa Syafiqah Shamsuri 1 and Edmund Ui-Hang Sim 1* Abstract Objective This research investigates the potential anti-tumour effects of bromelain, an aqueous extract from pineapple stems and fruits, on nasopharyngeal cancer (NPC) . While bromelain is known for its medicinal properties in various cancers, its impact on NPC remains unexplored. Results Using in silico methods, we studied the predicted interactions between bromelain and key proteins involved in NPC oncogenesis, specifically β-catenin, PIK3CA, mTOR, EGFR, and BCL2 . Molecular docking strategies were performed using a myriad of computational tools. A 3D model of bromelain was constructed using SWISS-MODEL, followed by molecular docking simulations performed with ClusPro. The binding affinities of the docked complexes were evaluated using HawkDock, and the interactions were analysed with LigPlot+ . The docking scores indicated potential spontaneous interactions, with binding affinities based on being − 103.89 kcal/mol (PIK3CA), -73.16 kcal/mol (EGFR), -71.18 kcal/mol (mTOR), -65.22 kcal/mol (β-catenin), and − 57.48 kcal/mol (BCL2) . LigPlot + analysis revealed the presence of hydrogen bonds, hydrophobic interactions, and salt bridges, indicating stable predicted interactions. Conclusion Our findings suggest that bromelain can target key proteins involved in NPC oncogenesis, with the strongest affinity towards PIK3CA. This suggests a hypothetical insight into bromelain’s anticancer effects on NPC through the modulation of the PI3K/Akt signaling pathway. Keywords Nasopharyngeal carcinoma, Molecular docking simulation, Protein-protein interactions, Bromelain, PIK3CA *Correspondence: Edmund Ui-Hang Sim [uhsim@unimas. my](uhsim@unimas. my) 1Faculty of Resource Science and Technology, Universiti Malaysia Sarawak, Kota Samarahan, Sarawak 94300, Malaysia © The Author(s) 2024. Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit [http://creativecommons.org/l](http://creativecommons.org/l)icenses/by/4.0/. Introduction Bromelain is a bioactive compound obtained from pineapple (Ananas comosus) aqueous extract that is widely studied as a drug candidate. It is known to have medicinal properties such as antimicrobial, antithrombotic and anti-inflammatory effects [1]. Previous in vitro and in vivo studies have revealed its anticancer effects on various types of cancer such as lung [2, 3], brain [4], colorectal [5, 6], skin [7], and breast [8–10] cancer. However, to date, literature evidence of this effect on Nasopharyngeal carcinoma (NPC) is lacking, including those from insilico findings. NPC is a type of head and neck squamous cell cancer (HNSCC) that is preferentially common in Asia, particularly Southeast Asia [11, 12]. NPC pathogenesis involves several crucial signalling pathways including those that regulate cell prolife

FAQs

What is the objective of the study?

To investigate the potential anti-tumour effects of bromelain on nasopharyngeal cancer by examining how it may interact with key signalling proteins involved in NPC oncogenesis.

Which proteins were analyzed for bromelain interactions?

The study used in silico methods to analyze predicted interactions between bromelain and β-catenin, PIK3CA, mTOR, EGFR, and BCL2.

How were the bromelain–protein interactions evaluated?

A 3D bromelain model was built using SWISS-MODEL, docking simulations were performed with ClusPro, binding affinities were assessed with HawkDock, and interaction types were analyzed using LigPlot+.

Sep 22, 2026

Upload by Quinn