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Chemistry 910 Practical Medicinal Chemistry Dr John Carran Queen’s University Department of Chemistry.

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Presentation on theme: "Chemistry 910 Practical Medicinal Chemistry Dr John Carran Queen’s University Department of Chemistry."— Presentation transcript:

1 Chemistry 910 Practical Medicinal Chemistry Dr John Carran Queen’s University Department of Chemistry

2 Background  In conjunction with Dale Cameron  To develop a course to teach the fundamentals of medicinal chemistry and then to apply them  Lecture component  Practical component

3 Lecture component  Where do drugs act  How do drugs bind  How are drugs metabolised/consequences  How are drugs administered/consequences  How are drugs tested  SAR/QSAR  Molecular modeling (Mike Kuiper, Melbourne, Australia)  Lead compound generation/drug design  Chemistry and improving activity/drug design  Business/intellectual property (Angela Lyon, Parteq, Queen’s University)  Process/scale up  Clinical trials  Case studies

4 Practical component  Aim: To mimic an industrial lead compound selection process. Opiate analgesics.  Each week for 5 weeks a series of compounds with associated data is released.  Each “company” must select one compound to progress in their pipeline to lead compound designation  Each company must rationalise their selection process to a Medicinal Chemistry mentor.

5 Mentors  Dale Cameron - Migenix Corp  Jack Bikker – Wyeth Research  Harold Mastalertz – BMS  Sheldon Hiebert – BMS  Sheldon Crane – Merck Dinesh Vyas Rick Friesen

6 Video conferencing  One per week, weeks 7-11  Skype or VSee (Free!)  Each “company” has 30 minutes  Questions from mentor on selection process / red herrings  Teaching component  Evaluations on “company” and individual members returned to me

7 “Red Herrings”

8 Sample compound information Effective dose effective dose ED50 behavioural symptoms rhesus monkey intramuscular ED mg/kg, behavioural symptoms Saimiri sciureus, squirrel monkey intramuscular ED mg/kg, agonist HEK293 cells transfected with h δOR EC pmol/l, peristaltic stimulant Sprague-Dawley rat Subcutaneous ED mg/kg, peristaltic stimulant Sprague-Dawley rat Subcutaneous ED mg/kg, Antinociceptive Sprague-Dawley rat Subcutaneous ED mg/kg, {effective dose ED50 Antinociceptive used as methane sulfonate in Macaca mulatta, rhesus monkey ED μg} Activity Narcotic Analgesic Rotation/refraction Molar Refractivity (cm3/mol) 93.15, Calculated Molar Refractivity Blood brain equilibrium 3.66+/-0.513, clearance across BBB into Brain 44.1+/-5.5mL/100g min, logD at pH 1, pH 2, pH 3, pH 4, pH 5, pH 6, pH 7, pH 8, pH 9, pH 10 [t =25, for neutral and ionic compounds] 0.56, 0.56, 0.56, 0.56, 0.6, 0.84, 1.56, 2.49, 3.23, 3.34, {3.57}

9 Course breakdown  Take home assignment (mechanism question in synthesis of Artemisinin) and “midterm” week 6 (handout) (50%)  Videoconferencing assignments (5), weeks 7-11 (25% total)  Professional project report week 9 (5%)  Final poster presentation week 12 (20%)

10 Aims of marked component  Midterm exam- examines lecture component material  Videoconferencing – communication, rationale, comprehension  Report – communication, comprehension  Poster presentation – future work, innovation

11 Current enrollment  Six students  3 companies (teams) of two students  5 chemists, 1 pharmacologist  Ideal enrollment 12+ of mixed groups (chemist + pharmacologist + biochemist)

12 Acknowledgements  QCIC  Dale Cameron, Dinesh Vyas, Rick Friesen, Jack Bikker  Harold Mastalertz, Sheldon Hiebert, Sheldon Crane  Angela Lyon, Michael Kuiper  Caitlin Latimer (SWEP program, Queen’s University)


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