ExaWizards and Daiichi Sankyo Achieve Results in AI Drug Discovery, Joint Project Identified Hit Compounds on Challenging Target Proteins in a Short Period of Time
– Created an Efficient Workflow that Combined AI Technology and Structure-Based Drug Discovery, Compound Selection In 2 Months for Ultra-Large-Scale Screening –
Today, ExaWizards Inc. (Minato-ku, Tokyo; President: Makoto Haruta; hereinafter “ExaWizards”) and Daiichi Sankyo Company, Limited (Chuo-ku, Tokyo; President: Hiroyuki Okuzawa; hereinafter “Daiichi Sankyo”) announced that their joint AI-based drug discovery project discovered a hit compound on a challenging disease-causing target protein. The two companies started a joint development project on data-driven drug discovery in 2019, and started a project to create hit compounds in 2023.
ExaWizards aims to solve social issues in the medical field by utilizing AI to develop drug discovery support, medical device programs, and services for consumers and patients.
☑︎ Achievement
ExaWizards has developed an innovative approach to drug discovery that combines AI technology and structure-based drug discovery (SBDD1). This project conducted an ultra-large scale virtual screening2 (ULVS) to identify potential hit compounds from a set of approximately 6 billion compounds. The project succeeded in filtering and selecting approximately 400 promising compounds for a target protein (for which it has been difficult to obtain high-quality hit compounds) in two months.
From the selected compounds, the concentration (IC50) required to inhibit the reaction (activity) of a specific protein by 50% was below the set criterion, showing good activity as a hit compound.
Daiichi Sankyo will continue to study these compounds.
1 SBDD: Structure-Based Drug Design
2 A method of filtering a large number of compounds to those that show favorable activity via computer or other means. High-throughput screening, which evaluates millions of compounds, was the prior mainstream method.
☑︎ The Strengths of ExaWizards and Daiichi Sankyo
The success of this project was a result of the combined strengths of ExaWizards’ AI engineers and Daiichi Sankyo’s researchers.
The project benefitted from a workflow that combined AI technology developed by ExaWizards’ engineers with docking simulations of compound-protein interactions, the expertise required to design and implement annotations, the ability and provide detailed descriptions of compound properties. Daiichi Sankyo’s research team then used their extensive knowledge of pharmaceuticals to develop a new method to create the new compound.
ExaWizards and Daiichi Sankyo have built a relationship based on knowledge and trust since the start of their collaboration in 2019 by combining their AI and data utilization technologies with pharmaceutical expertise. This has established an innovative approach to drug discovery and has created a faster and more efficient method for compound discovery.
(Reference)
AI startup ExaWizards commences a joint development project with Daiichi Sankyo for data-driven drug discovery in small-molecule drugs
https://exawizards.com/en/archives/8071/
☑︎ Future Policies
The two companies will build on the results of this project by continuing their joint research on multiple target proteins, accumulating more successful results, and creating innovative drugs. ExaWizards will continue to develop their AI technology to contribute to efficient drug development through data-driven drug discovery research.
This collaboration will establish innovative approaches to drug discovery and create new methods for faster and more efficient compound discovery, contributing to the acceleration of drug research.
☑︎ ExaWizards’ Initiatives in the Healthcare Field
ExaWizards is engaged in the “AI platform business,” where AI and machine learning engineers, business development members, and system development and operation engineers collaborate to address issues across industries. We conduct over 300 AI and DX projects annually.
In the AI platform business healthcare field, we support data-driven drug discovery, new businesses through product services, and real-world data utilization in partnership with our clients. In February 2024, ExaWizards established a new company to develop and market software as a medical device programs (SaMD).
(Reference) ExaWizards Establishes New Company ExaMD, Providing AI Healthcare Services.
https://exawizards.com/en/archives/26616/
【ExaWizards Corporate Profile】
Company Name: ExaWizards Inc.
Location: 4-2-8 Shibaura, Minato-ku, Tokyo, 5F, Sumitomo Realty & Development Mita Twin Building East
Established: February 2016
Representative: Makoto Haruta, Representative Director & President
Business: Industrial Innovation and the Resolution of Social Issues via AI Service Development
URL: https://exawizards.com/