John Macmillan Email & Phone Number

John Macmillan is a Ph.D. (Interdisciplinary Chemistry) - Researcher in computer-aided drug design with experience in molecular docking, QSAR analysis, machine learning, programming, and science communication..

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  Graduate Student

  Krembil Research Institute

  May 2015 - Jun 2023 - Toronto, Ontario, Canada

  Used in silico and in vitro methods to identify analogues of fenamic acids that can combat Alzheimer’s disease by inhibiting both amyloid-β oligomerization and the NLRP3 inflammasome. Performed machine learning-assisted data analysis to develop in silico systems and “back-of-the-envelope” algorithms that use the chemical structures of potential new drugs to predict their mutagenicity, ability to cross the blood–brain barrier, potential to inhibit the hERG potassium ion channel, and effects on proteins associated with known food–drug and drug–drug interactions in vivo.