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Localization of the oxidative defect in phytanic acid degradation in patients with Refsum's disease.
These studies support the conclusion that the defect in phytanic acid oxidation in Refsum's disease is located in the first step of phytic acid degradation, that is, in the alpha oxidation step leading to formation of alpha-hydroxyphytanic acid. Expand
Conformational changes of small molecules binding to proteins.
Flexible molecules change their conformation upon binding to a protein different from that in the crystal structure and also from that of the global energy minimum, and the degree of deformation depends upon the number of freely rotatable bonds in the molecule. Expand
Coumarin-based inhibitors of HIV integrase.
The purpose of the present study was to determine the critical components of 5 and if possible to simplify its structure while maintaining potency, and to show that the minimum active pharmacophore consisted of a coumarin dimer containing an aryl substituent on the central linker methylene. Expand
The biosynthesis of the aflatoxins.
HIV-1 integrase pharmacophore: discovery of inhibitors through three-dimensional database searching.
Starting from a known inhibitor of human immunodeficiency virus type 1 (HIV-1) integrase (IN), a putative three-point pharmacophore for binding of inhibitors to IN was derived and used to search the National Cancer Institute three-dimensional (3D) structural database. Expand
Antiretroviral agents as inhibitors of both human immunodeficiency virus type 1 integrase and protease.
Hydroxyls and two carbonyl moieties in NSC 158393 may provide lead compounds for development of novel antiviral agents based upon the concurrent inhibition of two viral targets, HIV-1 integrase and protease. Expand
National Cancer Institute Drug Information System 3D Database
A searcheable database of three-dimensional structures has been developed from the chemistry database of the NCI Drug Information System (DIS), a file of about 450,000 primarily organic compoundsExpand
Structure-based identification of a ricin inhibitor.
Computer-assisted searches indicated that pterins might bind in the RTA active site which normally recognizes a specific adenine base on rRNA, and models observed suggest alterations to the pterin moiety which may produce more potent and specific RTA inhibitors. Expand