About the Authors

Yuan-Ping Pang

pang@mayo.edu (Y-PP for chemistry); charles.b.millard@us.army.mil (CBM for biology)

Affiliation Computer-Aided Molecular Design Laboratory, Mayo Clinic, Rochester, Minnesota, United States of America

Jon Davis

Current address: Integrated Toxicology Division, United States Army Medical Research Institute of Infectious Diseases, Fort Detrick, Maryland, United States of America

Affiliation Division of Biochemistry, Walter Reed Army Institute of Research, Silver Spring, Maryland, United States of America

Shaohua Wang

Affiliation Computer-Aided Molecular Design Laboratory, Mayo Clinic, Rochester, Minnesota, United States of America

Jewn Giew Park

Affiliation Computer-Aided Molecular Design Laboratory, Mayo Clinic, Rochester, Minnesota, United States of America

Madhusoodana P. Nambiar

Affiliation Division of Biochemistry, Walter Reed Army Institute of Research, Silver Spring, Maryland, United States of America

James J. Schmidt

Affiliation Integrated Toxicology Division, United States Army Medical Research Institute of Infectious Diseases, Fort Detrick, Maryland, United States of America

Charles B. Millard

pang@mayo.edu (Y-PP for chemistry); charles.b.millard@us.army.mil (CBM for biology)

Current address: United States Army Medical Research and Materiel Command, Fort Detrick, Maryland, United States of America

Affiliation Division of Biochemistry, Walter Reed Army Institute of Research, Silver Spring, Maryland, United States of America

Competing Interests

Y-PP, JD, SW, JGP, JJS, and CBM are inventors of a filed provisional patent application titled “Small-Molecule Botulinum Toxin Inhibitors” that covers the inhibitors described in this paper, but this does not alter the adherence to all the PLoS ONE policies on sharing data and materials.

Author Contributions

Conceived and designed the experiments: Y-PP JD JJS CBM. Design of F4H and F3A: Y-PP SW JGP. Syntheses of F4H, F3A, and H3H: SW. Performed the experiments: Y-PP JD SW JGP MPN JJS. Analyzed the data: Y-PP JD SW JGP MPN JJS CBM. Wrote the paper: Y-PP JD CBM. Contributed with revisions: Y-PP JD SW JGP MPN JJS CBM.