2. Academic Validation
  3. Structure-based de novo design of non-nucleoside adenosine deaminase inhibitors

Structure-based de novo design of non-nucleoside adenosine deaminase inhibitors

  • Bioorg Med Chem Lett. 2003 Mar 24;13(6):1115-8. doi: 10.1016/s0960-894x(03)00026-x.
Tadashi Terasaka 1,  Isao Nakanishi,  Katsuya Nakamura,  Yoshiteru Eikyu,  Takayoshi Kinoshita,  Nobuya Nishio,  Akihiro Sato,  Masako Kuno,  Nobuo Seki,  Kazuo Sakane
Affiliations

Affiliation

  • 1 Medicinal Chemistry Research Laboratories, Fujisawa Pharmaceutical Co., Ltd., 2-1-6 Kashima, Yodogawa-ku, Osaka 532-8514, Japan. [email protected]
PMID: 12643924 DOI: 10.1016/s0960-894x(03)00026-x
Abstract

We searched for non-nucleoside inhibitors of Adenosine Deaminase by rational structure-based de novo design and succeeded in the discovery of 1-(1-hydroxy-4-phenyl-2-butyl)imidazole-4-carboxamide (FR221647: K(i)=5.9 microM to human ADA) as a novel inhibitor with moderate activity and good pharmacokinetics compared with the known inhibitors pentostatin and EHNA.

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