In Search of Selective 11¿-HSD 1 Inhibitors without Nephrotoxicity
An Approach to Resolve the Metabolic Syndrome by Virtual Based Screening
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Over expression of 11beta-HSD 1 in key metabolic tissues is related to the development of type 2 diabetes, obesity, hypertension and metabolic syndrome. Nephrotoxicity of corosolic acid (selective inhibitor of 11beta-HSD 1) is recently reported, which is one of the major drawback. Therefore, it is of great interest to find out the selective 11beta-HSD 1 inhibitors without nephrotoxicity. Using crystal structures of 11beta-HSD 1 in complex with inhibitors as a source of structural information, a combined structure-based virtual screening approach followed by PASS toxicity prediction, Lipinski's...
Over expression of 11beta-HSD 1 in key metabolic tissues is related to the development of type 2 diabetes, obesity, hypertension and metabolic syndrome. Nephrotoxicity of corosolic acid (selective inhibitor of 11beta-HSD 1) is recently reported, which is one of the major drawback. Therefore, it is of great interest to find out the selective 11beta-HSD 1 inhibitors without nephrotoxicity. Using crystal structures of 11beta-HSD 1 in complex with inhibitors as a source of structural information, a combined structure-based virtual screening approach followed by PASS toxicity prediction, Lipinski's rule and ADME prediction implemented to find out the potent and selective 11 beta-HSD 1 analog of corosolic acid without nephrotoxicity.
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