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

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Terasaka T, Nakanishi I, Nakamura K, Eikyu Y, Kinoshita T, Nishio N, Sato A, Kuno M, Seki N, Sakane K

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

Bioorg Med Chem Lett. 2003 Mar 24;13(6):1115-8.

PubMed ID

12643924 [ View in PubMed

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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.

DrugBank Data that Cites this Article

Binding Properties

Drug	Target	Property	Measurement	pH	Temperature (°C)
FR221647	Adenosine deaminase	Ki (nM)	5900	7.4	22	Details
Pentostatin	Adenosine deaminase	Ki (nM)	0.033	7.4	22	Details