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Generally, treatment with botulinum toxin is a safe procedure when conducted by clinicians with expertise, and local side effects are rare and transient. However, occasionally adverse effects can occur due to the spread of the drug to nontargeted muscles and organs, producing dry mouth, fatigue, and flu\u2010like symptoms, up to signs of systemic botulism, which appears to be more frequent in children treated for spasticity than in adults. In silico 3D\u2010QSAR and molecular docking studies were performed to build a structure\u2010based model on selected potent known botulinum neurotoxin type A inhibitors; this was used to screen the US Food and Drug Administration (FDA) database. Thirty molecules were identified as possible light\u2010chain BoNT\/A inhibitors. In this study, we applied a well\u2010established ligand\u2010 and structure\u2010based methodology for the identification of hit compounds among a database of FDA\u2010approved drugs. The identification of budesonide, protirelin, and ciclesonide followed by other compounds can be considered a starting point for investigations of selected compounds that could bypass much of the time and costs involved in the drug approval process.<\/jats:p>","DOI":"10.1002\/cmdc.201900594","type":"journal-article","created":{"date-parts":[[2019,11,27]],"date-time":"2019-11-27T05:40:00Z","timestamp":1574833200000},"page":"256-262","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":31,"title":["Repurposing of FDA\u2010Approved Drugs for Treating Iatrogenic Botulism: A Paired 3D\u2010QSAR\/Docking Approach<sup>\u2020<\/sup>"],"prefix":"10.1002","volume":"15","author":[{"given":"Giuseppe","family":"Floresta","sequence":"first","affiliation":[{"name":"Department of Drug Sciences University of Catania  V.le A. 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