Publications by authors named "I Ijjaali"

A large number of chemical structures that interact with G-protein coupled receptors (GPCRs) have been disclosed in patents or published papers. Most of these compounds are selective for a given protein target; however, it is well recognized that some GPCR-drugs interact with multiple targets. Using a literature database, we have identified compounds that act on different GPCRs.

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The 90-kDa heat shock protein (hsp90) has emerged as a new, promising target for cancer drug discovery. With the simultaneous disruption of a large range of oncogenic pathways, hsp90 inhibition results in either cytostasis or cell death. Diverse inhibitors of this molecular chaperone are currently under intensive study, and several have reached clinical trials.

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Background: Drug repositioning is a current strategy to find new uses for existing drugs, patented or not, and for late-stage candidates that failed for lack of efficacy.

Results: In silico profiling of several marketed drugs (methadone, rapamycin, saquinavir and telmisartan) was performed, exploiting a vast amount of published information. Similar compounds were assessed in terms of target-activity profiles for major drug-target families.

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Cytochromes P450 (CYPs) are crucial targets when predicting the ADME properties (absorption, distribution, metabolism, and excretion) of drugs in development. Particularly, CYPs mediated drug-drug interactions are responsible for major failures in the drug design process. Accurate and robust screening filters are thus needed to predict interactions of potent compounds with CYPs as early as possible in the process.

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The aim of the present work is to assess the chemical and biological diversity of ligands reported in scientific articles or patents to be active against ion channels targets. A specific query of the AurSCOPE Ion Channel knowledge database was constructed to retrieve a set of the most active non-peptide ligands tested in binding or electrophysiology experiments against all ion channel families. A biological activity threshold cutoff expressed by K(i), IC(50), or EC(50) was set to 300 nM.

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