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Dr David K Chalmers

Photo of Dr Chalmers

Senior Lecturer

BSc (Hons) University of Melbourne.
PhD University of Melbourne.

Phone: +61 3 9903 9110
Fax: +61 3 9903 9582
email: david.chalmers@pharm.monash.edu.au

Medicinal Chemistry and Drug Action, Monash Institute of Pharmaceutical Sciences

Research interests

The application of computational methods to drug development including:

  • Fragment based drug design
  • The design of new anti-HIV compounds
  • The development of conformationally constrained bioactive peptides
  • The molecular dynamics of protein and lipid systems

Representative publications

  1. Yuriev E, Chalmers D, Capuano, B. Conformational Analysis of Drug Molecules: A Practical Exercise in the Medicinal Chemistry Course. Journal of Chemical Education. In Press.
  2. Warren DB, Chalmers DK, Pouton CW. Structure and dynamics of glyceride lipid formulations, with propylene glycol and water. Molecular Pharmaceutics. In press.
  3. Roberts BP, Scanlon MJ, Krippner GY, Chalmers, DK. Molecular Dynamics of Variegated Polyamide Dendrimers. Macromolecules.  Accepted 2009 Jan 7.
  4. Roberts BP, Scanlon MJ, Krippner GY, Chalmers DK. Molecular Dynamics of Poly(L-lysine) Dendrimers with Naphthalene Disulfonate Caps. Macromolecules. In press.
  5. Roberts BP, Scanlon MJ, Krippner GY, Chalmers DK. The Dotted Cap Notation: A concise notation for describing variegated dendrimers. New J Chem. 2008; 32:1543-1554.
  6. Ferguson GN, Valant C, Horne J, Figler H, Flynn BL, Chalmers DK et.al. 2-aminothienopyridazines as novel adenosine A(1) receptor allosteric modulators and antagonists. Journal of Medicinal Chemistry. 2008; 51:6165-6172.
  7. Creek DJ, Chalmers DK, Charman WN, Duke BJ. Quantum chemical study of the intermediate complex required for iron-mediated reactivity and antimalarial activity of dispiro-1,2,4-trioxolanes. Journal of molecular graphics & modelling. 2008; 27:394-400.
  8. Camerino MA, Kong DCM, Chalmers DK, Thompson PE. Solid Phase Synthesis and Circular Dichroism Analysis of (i -> i+4) Cyclic Lactam Analogues of Kisspeptin. International Journal of Peptide Research and Therapeutics. 2008; 14:323-331.
  9. Camerino MA, Chalmers DK, Thompson PE. Computer-assisted design of cyclic peptides and peptidomimetics. Chimica Oggi-Chemistry Today. 2008; 2:46-51.
  10. Warren DB, Chalmers DK, Hutchison K, Dang W, Pouton CW. Molecular dynamics simulations of spontaneous aqueous phase bile salt aggregation. Colloids and Surfaces A. 2006.
  11. Perry CS, Charman SA, Prankerd RJ, Chiu FCK, Scanlon MJ, Chalmers DK, et.al. Interaction of Synthetic Ozonide Antimalarials with Natural and Modified Beta-Cyclodextrins J. Pharm. Sci. 2006; 95:146-158.
  12. Wielens J, Crosby IT, Chalmers DK. A three-dimensional model of the human immunodeficiency virus type 1 integration complex. Journal of Computer-Aided Molecular Design. 2005; 19:301-317.
  13. Brown RN, Cameron R, Chalmers DK, Hamilton S, Luttick A, Krippner GY, et.al. 2-Ethoxybenzoxazole as a bioisosteric replacement of an ethyl benzoate group in a human rhinovirus (HRV) capsid binder. Bioorg Med Chem Lett. 2005; 15:2051-5.
  14. Macdonald SJ, Watson KG, Cameron R, Chalmers DK, Demaine DA, Fenton, RJ, et.al. Potent and long-acting dimeric inhibitors of influenza virus neuraminidase are effective at a once-weekly dosing regimen. Antimicrobial Agents and Chemotherapy. 2004; 48:4542-4549.
  15. Bartholomeusz A, Tehan BG, Chalmers DK. Comparisons of the HBV and HIV polymerase, and antiviral resistance mutations. Antiviral therapy. 2004; 9:149-60.
  16. Watson KG, Brown RN, Cameron R, Chalmers DK, Hamilton S, Jin B, et.al. An orally bioavailable oxime ether capsid binder with potent activity against human rhinovirus. J Med Chem. 2003; 46:3181-4.
  17. Tehan BG, Lloyd EJ, Wong MG, Chalmers DK. Analysis of agonism by dopamine at the dopaminergic D-2 G-protein coupled receptor based on comparative modelling of rhodopsin. Molecular Simulation. 2002; 28:865-888.
  18. Ogru E, Wilson JC, Heffernan M, Jiang WJ, Chalmers DK, Libinaki R et.al. The conformational and biological analysis of a cyclic anti-obesity peptide from the C-terminal domain of human growth hormone. J Pept Res. 2000; 56:388-97.
  19. Slomczynska U, Chalmers DK, Cornille, F, Smythe ML, Beusen DD, Moeller KD et.al. Electrochemical Cyclization of Dipeptides To Form Novel Bicyclic, Reverse-Turn Peptidomimetics. II. Synthesis and Conformational Analysis of 6,5-Bicyclic Systems. Journal of Organic Chemistry. 1996; 61:1198-1204.
  20. Chalmers DK, Marshall GR. Pro-D-NMe-Amino Acid and D-Pro-NMe-Amino Acid: Simple, Efficient Reverse-Turn Constraints. Journal of the American Chemical Society 1995; 117:5927-5937.