About the Authors

Yuan-Ping Pang

pang@mayo.edu (YPP); james.schmidt@det.amedd.army.mil (JJS)

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

Anuradha Vummenthala

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

Rajesh K. Mishra

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

Shaohua Wang

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, Frederick, Maryland, United States of America

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

Charles B. Millard

Current address: United States Army Medical Research & 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

James J. Schmidt

pang@mayo.edu (YPP); james.schmidt@det.amedd.army.mil (JJS)

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

Competing Interests

All authors are inventors of a filed provisional patent application titled “Small-Molecule Botulinum Toxin Inhibitors” that is related to 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: YPP CBM JJS JD. Devised the syntheses of 4, 10b, 11, and AHP: AV. Devised the syntheses of 2, 5, 10b, 11, 14, and AHP: RKM. Devised the syntheses of 3, 6, 7, and 8: JGP. Devised the synthesis of 9: SW. Performed the experiments RKM AV JGP SW YPP JJS JD. Analyzed the data: all authors. Wrote the paper: YPP. Contributed with revisions: all authors.