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- W4290725661 abstract "With our continuous endeavors in seeking neuraminidase (NA) inhibitors, we reported herein three series of novel oseltamivir amino derivatives with the goal of exploring the druggable chemical space inside the 150-cavity of influenza virus NAs. Among them, around half of the compounds in series C were demonstrated to be better inhibitors against both wild-type and oseltamivir-resistant group-1 NAs than oseltamivir carboxylate (OSC). Notably, compounds 12d, 12e, 15e, and 15i showed more potent or equipotent antiviral activity against H1N1, H5N1, and H5N8 viruses compared to OSC in cellular assays. Furthermore, compounds 12e and 15e exhibited high metabolic stability in human liver microsomes (HLMs) and low inhibitory effect on main cytochrome P450 (CYP) enzymes, as well as low acute/subacute toxicity and certain antiviral efficacy in vivo. Also, pharmacokinetic (PK) and molecular docking studies were performed. Overall, 12e and 15e possess great potential to serve as anti-influenza candidates and are worthy of further investigation." @default.
- W4290725661 created "2022-08-09" @default.
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- W4290725661 date "2022-08-08" @default.
- W4290725661 modified "2023-10-16" @default.
- W4290725661 title "Iterative Optimization and Structure–Activity Relationship Studies of Oseltamivir Amino Derivatives as Potent and Selective Neuraminidase Inhibitors <i>via</i> Targeting 150-Cavity" @default.
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- W4290725661 doi "https://doi.org/10.1021/acs.jmedchem.1c01970" @default.
- W4290725661 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/35939763" @default.
- W4290725661 hasPublicationYear "2022" @default.
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