The solid-state conformation of pentamidine, a drug effective against Pneumocystis carinii pneumonia, is shown by X-ray diffraction to be flat and extended; molecular modelling shows that a more curved conformation could bind to the minor groove of DNA spanning four base pairs.
P. R. Lowe, C. E. Sansom, C. H. Schwalbe and M. F. G. Stevens, J. Chem. Soc., Chem. Commun., 1989, 1164 DOI: 10.1039/C39890001164
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