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REVIEW article

Front. Med. Technol.
Sec. Nano-Based Drug Delivery
Volume 7 - 2025 | doi: 10.3389/fmedt.2025.1528826
This article is part of the Research Topic Nanomaterials and Small Molecule-Enabled Precision Therapeutics, Biosensor and Diagnostics View all articles

Integrating Computational Insights in Gold Nanoparticle-Mediated Drug Delivery: Enhancing Efficacy and Precision

Provisionally accepted
Amnah Alalmaie Amnah Alalmaie Huda Turki Alshahrani Huda Turki Alshahrani *Zeyad Alshahrani Zeyad Alshahrani Manar Alqahtani Manar Alqahtani Shahad Alahmari Shahad Alahmari Asilah Asiri Asilah Asiri Bandar Alqadi Bandar Alqadi Abdulrahman Alshahrani Abdulrahman Alshahrani Safar Alshahrani Safar Alshahrani
  • King Khalid University, Abha, Saudi Arabia

The final, formatted version of the article will be published soon.

    Gold nanoparticles (AuNPs) have emerged as a versatile platform in biomedical applications, particularly in drug delivery, cancer therapy, and diagnostics, due to their unique physicochemical properties. This review focuses on the integration of computational methods and artificial intelligence (AI) with nanotechnology to optimize AuNP-based therapies. Computational modeling is essential for understanding the interactions between AuNPs and biological molecules, guiding nanoparticle design for improved targeting, stability, and therapeutic efficacy. Recent advancements, including AI-driven models in precision cancer therapy and the combination of AuNPs with antimicrobial peptides (AMPs) to combat drug-resistant pathogens, are highlighted. The review also discusses challenges such as toxicity, targeting efficiency, and the need for scalable synthesis, alongside the limitations of computational modeling in capturing complex biological environments. Emphasizing the importance of ongoing research and interdisciplinary collaboration, this review underscores the potential of integrating computational insights with AuNP technology to enhance the precision, safety, and effectiveness of therapeutic and diagnostic approaches.

    Keywords: Gold nanoparticles (AuNPs), Drug Delivery Systems, targeted cancer therapy, computational, Artificial Intelligence in Nanomedicine

    Received: 15 Nov 2024; Accepted: 30 Jan 2025.

    Copyright: © 2025 Alalmaie, Alshahrani, Alshahrani, Alqahtani, Alahmari, Asiri, Alqadi, Alshahrani and Alshahrani. This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) or licensor are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

    * Correspondence: Huda Turki Alshahrani, King Khalid University, Abha, Saudi Arabia

    Disclaimer: All claims expressed in this article are solely those of the authors and do not necessarily represent those of their affiliated organizations, or those of the publisher, the editors and the reviewers. Any product that may be evaluated in this article or claim that may be made by its manufacturer is not guaranteed or endorsed by the publisher.