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David K. Chalmers

Photo of Dr Chalmers

Senior Lecturer

Manager of the VCP Computational Chemistry Facility

B.Sc.(Hons), Ph.D., University of Melbourne.

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

Research Interests

Drug design and development. Including:

  • The application of molecular modelling methods to drug design
  • Fragment based drug design
  • The design of new anti-HIV compounds
  • The application of cluster computing to drug development (project with VPAC)
  • Structure activity relationships, both quantitative and qualitative, including CoMFA

Significant Publications

  1. Warren, D. B.; Chalmers, D. K.; Hutchison, K.; Dang, W.;
    Pouton, C. W. Molecular dynamics simulations of spontaneous aqueous phase bile salt aggregation. Colloids and Surfaces A 280, 182-193, 2006.
  2. Perry, C. S.; Charman, S. A.; Prankerd, R. J.; Chiu, F. C. K.;
    Scanlon, M. J.; Chalmers, D.; Charman, W. N. The binding interaction of synthetic ozonide antimalarials with natural and modified b-cyclodextrins. Journal of Pharmaceutical Sciences 2005, 95, (1), 146-158.
  3. Brown, R. N.; Cameron, R.; Chalmers, D. K.; Hamilton, S.;
    Luttick, A.; Krippner, G. Y.; McConnell, D. B.; Nearn, R.; Stanislawski, P. C.; Tucker, S. P.; Watson, K. G. 2-Ethoxybenzoxazole as a bioisosteric replacement of an ethyl benzoate group in a human rhinovirus (HRV) capsid binder. Bioorg Med Chem Lett 2005, 15, (8), 2051-5.
  4. Wielens, J.; Crosby Ian, T.; Chalmers David, K. A
    three-dimensional model of the human immunodeficiency virus type 1 integration complex. Journal of Computer-Aided Molecular Design 2005, 19, (5), 301-17.
  5. Bartholomeusz, A.; Tehan Benjamin, G.; Chalmers David, K.
    Comparisons of the HBV and HIV polymerase, and antiviral resistance mutations. Antiviral Therapy 2004, 9, (2), 149-60.
  6. Macdonald, S. J.; Watson, K. G.; Cameron, R.; Chalmers, D. K.;
    Demaine, D. A.; Fenton, R. J.; Gower, D.; Hamblin, J. N.; Hamilton, S.; Hart, G. J.; Inglis, G. G.; Jin, B.; Jones, H. T.; McConnell, D. B.; Mason, A. M.; Nguyen, V.; Owens, I. J.; Parry, N.; Reece, P. A.; Shanahan, S. E.; Smith, D.; Wu, W. Y.; Tucker, S. P. Potent and long-acting dimeric inhibitors of influenza virus neuraminidase are effective at a once-weekly dosing regimen. Antimicrob Agents Chemother 2004, 48, (12), 4542-9.
  7. Krippner, G. Y.; Chalmers, D. K.; Stanislawski, P. C.; Tucker,
    S. P.; Watson, K. G. Synthesis and Antiviral Activity of Dimeric Capsid-Binding Inhibitors of Human Rhinovirus (HRV). Australian Journal of Chemistry 2004, 57, (6), 553-564.
  8. Watson, K. G.; Brown, R. N.; Cameron, R.; Chalmers, D. K.;
    Hamilton, S.; Jin, B.; Krippner, G. Y.; Luttick, A.; McConnell, D. B.; Reece, P. A.; Ryan, J.; Stanislawski, P. C.; Tucker, S. P.; Wu, W. Y.; Barnard, D. L.; Sidwell, R. W. An orally bioavailable oxime ether capsid binder with potent activity against human rhinovirus. J Med Chem 2003, 46, (15), 3181-4.
  9. Tehan, B. G.; Lloyd, E. J.; Wong, M. G.; Chalmers, D. K.
    Analysis of agonism by dopamine at the dopaminergic D2 G-protein coupled receptor based on comparative modelling of rhodopsin. Molecular Simulation 2002, 28, (10-11), 865-888.