Global ETD Search
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Showing 1 to 2 of 2 for “"Pharmacophore screening"”.
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Insights into the Development of Chemotherapeutics Targeting PFKFB Enzymes
… for using tier-based approaches of virtual screening to target small molecule kinases, with PFKFB3 serving as a case study. For this investigation, bioactive compounds for PFKFB3 were identified from a compound library of 1364 compounds via high-throughput screening, with bioactive compounds …
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Defining Novel Clusters of PPAR gamma Partial Agonists for Virtual Screening
… agonists. In silico techniques, like virtual screening, molecular docking, and pharmacophore modeling, allow us to determine and characterize markers of varying levels of agonism. An extensive search of the RCSB Protein Data Bank found 62 structures of PPARγ resolved with partial agonists. …