The X-ray structure of the S. aureus PBP 2a (left) is shown as a solvent-accessible Connolly surface in green. The close up of
the active site (at one o’clock) is depicted in stereo, showing the fitting of compound 1 in the pose predicted by the program
DOCK. Inhibitor color scheme: oxygen (red), nitrogen (blue), carbon (gray), and fluorine (aqua).
Published in: Peter I. O’Daniel; Zhihong Peng; Hualiang Pi; Sebastian A. Testero; Derong Ding; Edward Spink; Erika Leemans; Marc A. Boudreau;
Takao Yamaguchi; Valerie A. Schroeder; William R. Wolter; Leticia I. Llarrull; Wei Song; Elena Lastochkin; Malika Kumarasiri; Nuno T. Antunes;
Mana Espahbodi; Katerina Lichtenwalter; Mark A. Suckow; Sergei Vakulenko; Shahriar Mobashery; Mayland Chang; J. Am. Chem. Soc. 2014,
136, 3664-3672.
DOI: 10.1021/ja500053x
Copyright © 2014 American Chemical Society
Published in: Peter I. O’Daniel; Zhihong Peng; Hualiang Pi; Sebastian A. Testero; Derong Ding; Edward Spink; Erika Leemans; Marc A. Boudreau;
Takao Yamaguchi; Valerie A. Schroeder; William R. Wolter; Leticia I. Llarrull; Wei Song; Elena Lastochkin; Malika Kumarasiri; Nuno T. Antunes;
Mana Espahbodi; Katerina Lichtenwalter; Mark A. Suckow; Sergei Vakulenko; Shahriar Mobashery; Mayland Chang; J. Am. Chem. Soc. 2014,
136, 3664-3672.
DOI: 10.1021/ja500053x
Copyright © 2014 American Chemical Society
Pharmacokinetics of the oxadiazoles after single iv and po administration at 50 mg/kg to
mice (n = 3 per time point); (a) antibiotic 2, (b) antibiotic 3, and (c) antibiotic 4.
Published in: Peter I. O’Daniel; Zhihong Peng; Hualiang Pi; Sebastian A. Testero; Derong Ding; Edward Spink; Erika Leemans; Marc A. Boudreau;
Takao Yamaguchi; Valerie A. Schroeder; William R. Wolter; Leticia I. Llarrull; Wei Song; Elena Lastochkin; Malika Kumarasiri; Nuno T. Antunes;
Mana Espahbodi; Katerina Lichtenwalter; Mark A. Suckow; Sergei Vakulenko; Shahriar Mobashery; Mayland Chang; J. Am. Chem. Soc. 2014,
136, 3664-3672.
DOI: 10.1021/ja500053x
Copyright © 2014 American Chemical Society
Effect of antibiotic 3 on macromolecular biosynthesis assays, measuring the incorporation of radiolabeled precursors into (a)
peptidoglycan, (b) protein, (c) RNA, and (d) DNA, compared to known antibiotic inhibitors of the same pathways.
Ciprofloxacin is a fluorquinolone, meaning it inhibits replication.
Published in: Peter I. O’Daniel; Zhihong Peng; Hualiang Pi; Sebastian A. Testero; Derong Ding; Edward Spink; Erika Leemans; Marc A. Boudreau;
Takao Yamaguchi; Valerie A. Schroeder; William R. Wolter; Leticia I. Llarrull; Wei Song; Elena Lastochkin; Malika Kumarasiri; Nuno T. Antunes;
Mana Espahbodi; Katerina Lichtenwalter; Mark A. Suckow; Sergei Vakulenko; Shahriar Mobashery; Mayland Chang; J. Am. Chem. Soc. 2014,
136, 3664-3672.
DOI: 10.1021/ja500053x
Copyright © 2014 American Chemical Society
Published in: Peter I. O’Daniel; Zhihong Peng; Hualiang Pi; Sebastian A. Testero; Derong Ding; Edward Spink; Erika Leemans; Marc A. Boudreau;
Takao Yamaguchi; Valerie A. Schroeder; William R. Wolter; Leticia I. Llarrull; Wei Song; Elena Lastochkin; Malika Kumarasiri; Nuno T. Antunes;
Mana Espahbodi; Katerina Lichtenwalter; Mark A. Suckow; Sergei Vakulenko; Shahriar Mobashery; Mayland Chang; J. Am. Chem. Soc. 2014,
136, 3664-3672.
DOI: 10.1021/ja500053x
Copyright © 2014 American Chemical Society