— Expanding the range of druggable targets through computational drug discovery powered by the quantum-inspired optimization solution “SQBM+” —

AOI Biosciences Inc. (formerly Revorf Co., Ltd.; headquartered in Ibaraki, Osaka; CEO: Shinichi Sueta; hereinafter “AOI Bio.”) and Toshiba Corporation (headquartered in Kawasaki, Kanagawa; President and CEO: Taro Shimada; hereinafter “Toshiba”) have jointly developed a technology (hereinafter the “Technology”) that uses Toshiba’s quantum-inspired optimization solution “SQBM+” (Note 1) to accurately predict allosteric pathways that lead to allosteric sites (Note 2) in proteins, as part of their collaboration in the field of allosteric drug discovery (Note 3). The companies are pleased to announce that the patent for this jointly developed Technology has been granted in Japan (Japanese Patent No. 7908389).

■ Overview of the Patent

■ About the Patented Technology
Since 2022, the two companies have been conducting research and development on technology that supports allosteric drug discovery enabled by Toshiba’s quantum-inspired optimization solution “SQBM+” (Note 1, Note 4). This patent protects technology developed through these research and development efforts.

Recent trends in drug discovery are focused around drugs that modulate the function of disease-related proteins. Among these, small-molecule drug discovery has mainly targeted the active center, which is the core functional site of a disease-related protein. However, because some proteins lack a site to which small molecules can readily bind, or because targeting the active center tends to cause side effects, the number of proteins that could be targeted for drug development has remained limited. To overcome this limit, drug discovery strategies that target “allosteric sites,” which remotely control the function of the active center, have begun to attract attention. Identifying allosteric sites still requires substantial effort and cost, which is a barrier to practical application and wider adoption of such strategies.
The Technology uses the three-dimensional structural information of a protein and applies “SQBM+” to predict and analyze the allosteric pathways within the protein, then predicts promising allosteric sites from the analysis. When validated against previously known allosteric sites, the Technology identified such sites with an accuracy of more than 80%. In addition, when compounds targeting the allosteric sites predicted by the Technology were screened and evaluated, activity against the target protein was confirmed.
This makes it possible to streamline the search for allosteric sites, which previously required considerable cost and effort, and is expected to enable new drug-discovery approaches for targets previously considered undruggable.
 

■ Future Plans
Through the use of the Technology, the two companies will pursue the following initiatives:

(1) Expanding access to the allosteric-site prediction service for pharmaceutical companies.
This service is already being provided to pharmaceutical companies and is being used to support active drug-discovery efforts. The service has demonstrated sufficient practical utility in pharmaceutical companies’ R&D settings, and the companies will work to expand its client base.

(2) Joint research on allosteric drug discovery with pharmaceutical companies.
Beyond providing the prediction technology, the companies will expand into drug-discovery research conducted in partnership with pharmaceutical companies and advance efforts toward broader practical applications.

(3) Advancing in-house drug discovery using the Technology (AOI Bio).
AOI Bio will apply the Technology to its own drug-discovery pipeline, aiming to create proprietary new drugs.
 

■ About AOI Biosciences Inc.
AOI Biosciences integrates bioinformatics with proprietary biotechnology, focusing on infectious diseases and autoimmune disorders. The company engages in diagnostic testing, drug discovery, and drug discovery support businesses, continuously contributing to the health and well-being of people worldwide.
https://www.aoibio.com/en/
 

■ About Toshiba Corporation
For over 150 years, Toshiba Group has contributed to the betterment of society through its business activities. Today, guided by the corporate philosophy of “Committed to People, Committed to the Future.,” the Group supports the advance toward a sustainable future through its wide range of businesses in Energy, Digital Infrastructure, and Devices & Technology.
https://www.global.toshiba/ww/top.html

Note 1: A solution—invented in the course of quantum-computer research at Toshiba’s Corporate Research & Development Center—that implements the Simulated Bifurcation Algorithm to rapidly solve combinatorial optimization problems. Using conventional computers, “SQBM+” can obtain highly accurate approximate solutions (good solutions) to complex, large-scale problems in a short time. With “SQBM+,” Toshiba has worked with a variety of partners to verify the effectiveness of applying pseudo-quantum computing to high-speed, high-frequency trading in stock markets; to demonstrate logistics management through optimization of picking routes and shelf placement in factory warehouses; and to verify effectiveness in energy management and materials development.

Note 2: A site on a protein that regulates its structure or activity and contributes to its functional diversity.

Note 3: Proteins are regulated by modulatory factors so that they exert their functions appropriately when needed; this mechanism is called allosteric regulation. Targeting the site to which a modulatory factor binds (the allosteric site) offers many advantages—such as expanding the range of drug-discovery targets, creating highly specific drugs, and the potential to reduce side effects—so technology that identifies allosteric regulatory sites is considered a key technology for increasing the probability of success in new-drug development.

Note 4: “Toshiba and Revorf Advance Computational Drug Discovery Evaluation with Quantum-Inspired SQBM+TM Optimization Solution – Aim to significantly expand druggable targets through new allosteric regulation prediction technology.”
https://www.global.toshiba/ww/company/digitalsolution/news/2022/0627.html

• SQBM+ is a registered trademark or trademark of Toshiba Corporation in Japan and other countries.
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