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. 1998 Mar 3;8(5):477-82.
doi: 10.1016/s0960-894x(98)00056-0.

New bronchodilators selected by molecular topology

I Ríos-Santamarina  1 , R García-Domenech, J Gálvez, J Cortijo, P Santamaria, E Morcillo
Affiliations

New bronchodilators selected by molecular topology

I Ríos-Santamarina et al. Bioorg Med Chem Lett. .

Abstract

Molecular topology has been applied to find new lead compounds with bronchodilator activity. Among the selected compounds stands out 3-(1H-tetrazol-5yl)-9H-thioxanthene-9 -one-10,10-dioxide, anthrarobin, 9-oxo-9H-thioxantene-3-carboxylic-10,10-dioxide acid, acenocoumarol and griseofulvin, with a percentage of relaxation, at 0.1 mM, of 91, 92, 85, 69, and 74%, respectively. Theophylline shows a correspondent value of 77% (Emax = 100% at 1 mM).

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