Potent New Small-Molecule Inhibitor of Botulinum Neurotoxin Serotype A Endopeptidase Developed by Synthesis-Based Computer-Aided Molecular Design

• Yuan-Ping Pang ,

  * E-mail: 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

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• Anuradha Vummenthala,

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

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• Rajesh K. Mishra,

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

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• Jewn Giew Park,

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

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• Shaohua Wang,

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

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• 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

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• 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

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• James J. Schmidt

  * E-mail: 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

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