Xeureka begins AI drug discovery research support on constrained peptides with FunPep

April 23, 2025

Xeureka Inc. (“Xeureka”), a wholly owned subsidiary of Mitsui & Co., Ltd. has signed an AI drug discovery support consulting agreement with FunPep Co., Ltd. (Ibaraki, Osaka; President: Toshimi Miyoshi; “FunPep”) for future collaborative research between the two companies and has begun to support drug discovery research on constrained peptides* (such as cyclic peptides containing unnatural amino acids).

 

Xeureka provides a wide range of computational and AI drug discovery support services, including modeling and optimization of ligand-protein complexes using AI and large-scale molecular dynamics simulations, as well as ultra-large-scale virtual screening, using its supercomputing and computational drug discovery technologies.

 

FunPep is progressing its business with the aim of addressing a range of societal needs through the development of medicinal products based on its proprietary peptide technology. It is conducting research and development centered on the functional peptide SR-0379, as well as multiple antibody-inducing peptides (peptide therapeutic vaccines) based on the strength of its functional peptide carrier AJP001.

Coming from this background, FunPep aims to expand its research interests into the field of constrained peptide drug discovery, which is expected to become the leading next-generation modality (drug discovery technology) in peptide drug discovery.

 

Xeureka has been supporting AI drug discovery research on antibody-inducing peptides under a research consignment agreement with FunPep since August 2024. Xeureka will also support FunPep in this new research area of constrained peptide drug discovery based on Xeureka’s computational and AI drug discovery technology and the expertise of our personnel in the field of peptide drug discovery.

The companies also plan to conduct this research with a view to concluding a joint research collaboration agreement in the latter half of the study.

 

Xeureka has multiple personnel specialized in the peptide field and plans to expand its drug discovery support further in the peptide field in the future. In general, Xeureka will continue to provide advanced computational drug discovery solutions and a large-scale, high-speed computing environment to significantly improve the efficiency and success rate of drug discovery research.

 

【* Constrained peptides (cyclic peptides containing non-natural amino acids)】

Peptide drugs, which are mid-sized molecular entities (molecular weight: 1,000 to 3,000) between small molecule drugs (molecular weight: up to 500) and macromolecular biologic drugs (molecular weight: around 150,000 for antibodies), can target molecules that small molecule drugs cannot effectively bind, and constrained peptide drugs (cyclic peptides containing nonnatural amino acids) are more stable and can permeate tissues better than macromolecular drugs. Peptide drugs are expected to be an increasingly important next-generation modality because they can target molecules that conventional drug discovery technologies cannot.

 

【About FunPep Co., Ltd.】

  • Address: 7-7-15 Saito Asagi, Ibaraki, Osaka, Japan
  • President: Toshimi Miyoshi
  • Established: October 2013
  • Business: Developing next-generation “Antibody-Inducing Peptide” vaccines utilizing functional peptides with immune-enhancing functions and functional peptide drugs for skin ulcers, as well as promoting healthcare and cosmetics business as a member of the FunPep group.
  • URL: https://www.funpep.co.jp/

 

【About Xeureka Inc.】

  • Address: 3-2-2 Toranomon, Minato-ku, Tokyo, Japan
  • President: Akiko Mutai
  • Established: November 2021
  • Shareholders: MITSUI & CO., LTD. (100%)
  • Business: Providing AI drug discovery support services and high-performance computing environments (supercomputers) to pharmaceutical and biotech companies, as well as conducting joint research and development for the purpose of drug discovery.
  • URL: https://xeureka.co.jp/
    https://tokyo-1.ai/
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