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David Manallack

Dr David Manallacks profile

Senior Lecturer

B.Pharm, Faculty of Pharmacy and Pharmaceutical Sciences
M.Pharm, Faculty of Pharmacy and Pharmaceutical Sciences
PhD, The University of Melbourne

Phone: +61 3 9903 9537
Fax: +61 3 9903 9582
email: david.manallack@pharm.monash.edu.au

Research Interests

  • Prediction of the biopharmaceutical properties of drugs
  • Use of quantitative structure-property relationships in new medicines research
  • Application of surface-based molecular descriptors derived from quantum mechanical methods
  • Prediction of physicochemical properties of compounds for drug discovery (pKa and solubility;  www.vcclab.org)
  • Molecular modelling applied to the design of PDE enzyme inhibitors

Honours projects for 2008

Significant Publications

  1. The Next Generation of Phosphodiesterase Inhibitors: Structural Clues to Ligand and Substrate selectivity of Phosphodiesterases, Manallack, D., Hughes, R. A., Thompson, P.E. J. Med. Chem.,2005, 48, 3449-3462.
  2. Lloyd, D.G., Buenemann, C.L., Todorov, N.P., Manallack, D.T. and Dean, P.M.  (2004) Scaffold hopping in de novo design – ligand generation in the absence of receptor information.  J. Med. Chem. 47, 493-496.
  3. Manallack, D.T., Tehan, B.G., Gancia, E., Hudson, B.D., Ford, M.G., Livingstone, D.J., Whitley, D.C. and Pitt, W.R. (2003) A consensus neural network-based technique for discriminating soluble and poorly soluble compounds. J. Chem. Inf. Comput. Sci. 43, 674-679
  4. Manallack, D.T., Pitt, W.R., Gancia, E., Montana, J.G., Livingstone, D.J., Ford, M.G. and Whitley, D.C. (2002) Selecting screening candidates for kinase and G protein-coupled receptor targets using neural networks. J. Chem. Inf. Comput. Sci. 42, 1256-1262.
  5. Tehan, B.G., Lloyd, E.J., Wong, M.C., Pitt, W.R., Montana, J.G., Manallack, D.T. and Gancia, E. (2002) Estimation of pKa using semi empirical molecular orbital methods. Part 1: Application to phenols and carboxylic acids. Quant. Struct.‑Act. Relat, 21, 457-472
  6. Tehan, B.G., Lloyd, E.J., Wong, M.C., Pitt, W.R., Gancia, E. and Manallack, D.T. (2002) Estimation of pKa using semi empirical molecular orbital methods. Part 2: