Computer simulations predict the treatment of HER2 mutated breast cancer


Ron Bose, MD, PhD, explains the importance of computer simulations in developing treatments for patients with HER2-positive breast cancer, according to a recent study.

Ron Bose, MD, PhD, associate professor in the medical school at Washington University School of Medicine in St. Louis, discusses the importance of computer simulation in developing treatments for patients with HER2-positive breast cancer.

Bose highlights the methods and results of a recent study by Ariella B. Hanker, PhD, et al. conducted study examining drug resistance solutions to various approved treatments for HER2-positive breast cancer.

According to Bose, computer simulation of protein function played a crucial role in identifying molecular targeted therapies related to HER2 Mutations. With the help of these simulations of the protein structure, Hanker and his colleagues were able to predict that concurrent mutations in HER2 and HER3 Genes would increase PI3K-AKT activation and identify a possible combination of neratinib (Nerlynx) and a PI3K-alpha inhibitor alpelisib (Piqray) to inhibit the growth of cancer cells.

Protein structure simulations can quickly determine whether mutations play a role in drug resistance, and oncologists can help predict the outcomes of existing and new treatments, says Bose. With the increasing use of next-generation sequencing (NGS) in the identification of mutations that are biomarkers or oncogenic drivers, increasingly detailed simulations of protein interactions identify study areas for new treatments and offer more options for targeted therapies.


0:08 | One thing I found new for the study was its use of computational simulations of how these mutations affect protein structure and function. As we get into the assessment and try to figure out how to target more and more cancer mutations identified by NGS, these computer simulations are very powerful because they can quickly judge, “What is the consequence of these mutations? Are these mutations? functionally mute? Or are these mutations potentially functionally important? And what impact do they have on overall protein function? ”So these computer simulations are a very important direction, and like with so many things that are computer-based, the field of computer simulations of protein structure and function is really racing, and oncologists may want something in return know because I think we will see it more and more often in future studies.


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