Your new experience awaits. Try the new design now and help us make it even better

SYSTEMATIC REVIEW article

Front. Pharmacol.

Sec. Experimental Pharmacology and Drug Discovery

Volume 16 - 2025 | doi: 10.3389/fphar.2025.1644907

Exploring the Potential of Computer Simulation Models in Drug Testing and Biomedical Research: A Systematic Review

Provisionally accepted
Rahul  MittalRahul Mittal1*Alan  HoAlan Ho2Harini  AdivikolanuHarini Adivikolanu2Muskaan  SawhneyMuskaan Sawhney2Joana  R N LemosJoana R N Lemos1Mannat  MittalMannat Mittal2Khemraj  HiraniKhemraj Hirani1
  • 1Division of Endocrinology, Diabetes and Metabolism, Department of Medicine, Leonard M. Miller School of Medicine, University of Miami, Miami, United States
  • 2University of Miami Miller School of Medicine, Miami, United States

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

The growing limitations of animal models in drug testing and biomedical research, including ethical concerns, high costs, and poor translational relevance to human biology, have catalyzed interest in computational simulation models as transformative alternatives. These innovative models, encompassing in silico approaches, pharmacokinetic/pharmacodynamic frameworks, molecular simulations, and organ-on-chip technologies, offer unparalleled precision in replicating human physiological and pathological processes. By bridging critical gaps in predictive accuracy and translational relevance, computational simulation models present an opportunity to streamline drug development, reduce late-stage failures, and enhance personalized medicine. Moreover, their ability to reduce reliance on animal models aligns with global ethical initiatives advocating for humane and sustainable research practices. Despite their transformative potential, challenges such as standardization, scalability, and regulatory integration must be addressed. This systematic review highlights the significance of simulation models in reshaping biomedical research, suggesting their capacity to advance human health outcomes while addressing the ethical and scientific shortcomings of traditional methodologies.

Keywords: simulation models, computational modeling, Regulatory Science, Biomedical Research, Animal alternatives, AI In Drug Discovery, Translational research

Received: 11 Jun 2025; Accepted: 15 Aug 2025.

Copyright: © 2025 Mittal, Ho, Adivikolanu, Sawhney, Lemos, Mittal and Hirani. 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: Rahul Mittal, Division of Endocrinology, Diabetes and Metabolism, Department of Medicine, Leonard M. Miller School of Medicine, University of Miami, Miami, United States

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.