Search Results - vsevolod+katritch

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2021-166 - AI Driven Modular Method for Structure-Based Screening of Virtual Libraries

Market Opportunity Structure-based virtual ligand screening is emerging as a key paradigm for early drug discovery owing to the availability of high-resolution target structures and ultra-large libraries of virtual compounds. However, to keep pace with the explosive growth of virtual chemical libraries, new approaches to compound screening are needed. USC...

2021-217 - AT2 Antagonists for Neuropathic Pain Relief

Neuropathic pain medication Abstract The investigators discovered potent AT2 antagonists for non-addictive pain relief. Several new lead compounds displayed better potency than the previous clinical candidate EMA401 (EC50=0.16nM vs 4.9nM). All compounds tested had good solubility, acceptable hepatocyte clearance and CYP inhibition profiles, as well...

2022-193 - Analgesics free of addiction and seizure liabilities

Improved analgesic drugs Abstract USC researchers have identified two similar DOR-selective bitopic ligands that provide analgesia while minimizing seizure risk. These ligands, which target the conserved sodium site in DORs, have high affinity and potency for the DOR in G-protein pathways, but not arrestin pathways. In a mouse model, these ligands...