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Dr David T Manallack

Dr David Manallacks profile

Senior Lecturer

BPharm Victorian College of Pharmacy
MPharm Victorian College of Pharmacy
PhD University of Melbourne

Telephone: +61 3 9903 9537
Fax: +61 3 9903 9582
Email: david.manallack@monash.edu

Medicinal Chemistry and Drug Action, Monash Institute of Pharmaceutical Sciences

Research interests

  • Molecular modelling applied to the design of PDE enzyme inhibitors (with relevance to malaria treatments)
  • Design, synthesis and testing of novel antibacterial agents
  • Design, synthesis and testing of novel Kv1.3 channel blockers for autoimmune diseases
  • Prediction of the biopharmaceutical properties of drugs and the 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)

Education

  • Bachelor of Pharmaceutical Sciences (lectures and practical sessions in computational chemistry)
  • Bachelor of Pharmacy (lectures and practical sessions in medicinal chemistry)
  • Supervision of Honours students in medicinal chemistry
  • Supervision of PhD candidates in projects concerning PDE inhibitors (malaria), Kv1.3 channel blockers (autoimmune diseases) and novel antibacterials

Representative publications

  1. Neale DS, Thompson PE, White PJ, Chalmers DK, Yuriev E. Manallack DT. Binding mode prediction of PDE4 inhibitors: A comparison of modelling methods. Aust. J. Chem. 2010;63:396-404
  2. Manallack DT, Chalmers DK, Yuriev E. Using the beta-2 adrenoceptor for structure-based drug design. J. Chem. Educ.2010;87:625-627
  3. Manallack DT. The Acid-Base Profile of a Contemporary Set of Drugs: Implications for Drug Discovery. SAR QSAR Env. Res. 2009;20:611-655.
  4. Hanna-Elias A, Manallack DT, Berque-Bestel I, Irving HR, Coupar IM, Iskander MN. Synthesis and preliminary screening of novel indole-3-methanamines as 5-HT4 receptor ligands. Eur J Med Chem. 2009;44:2952-2959.
  5. Manallack DT. The use of local surface properties for molecular superimposition. J Mol Model. 2008;14:797-805
  6. Manallack DT, Crosby IC, Khakham Y, Capuano B. Platensimycin: A Promising Antimicrobial Targeting Fatty Acid Synthesis. Curr Med Chem. 2008;15:705-710.
  7. Huuskonen J, Livingstone DJ, Manallack DT.   Prediction of Drug Solubility from Molecular Structure Using a Drug-like Training Set SAR QSAR. Env Chem. 2008; 19:191-212.
  8. Manallack DT. The pKa Distribution of Drugs: Application to Drug Discovery. Perspect. Medicin. Chem. 2007;1:25-38
  9. Manallack D, Hughes RA, Thompson PE. The Next Generation of Phosphodiesterase Inhibitors: Structural Clues to Ligand and Substrate selectivity of Phosphodiesterases.J Med Chem. 2005; 48:3449-3462.
  10. Lloyd DG, Buenemann CL, Todorov NP, Manallack DT, Dean PM. Scaffold hopping inde novo design – ligand generation in the absence of receptor information. J Med Chem. 2004;47: 93-496.
  11. Manallack DT, Tehan BG, Gancia E, Hudson BD, Ford MG, Livingstone DJ, et.al. A consensus neural network-based technique for discriminating soluble and poorly soluble compounds. J Chem Inf Comput Sci. 2003 ;43:674-679.
  12. Manallack DT, Pitt WR, Gancia E, Montana JG, Livingstone DJ, Ford MG, et.al. Selecting screening candidates for kinase and G protein-coupled receptor targets using neural networks.J Chem Inf Comput Sci. 2002;42:1256-1262.
  13. Tehan BG, Lloyd EJ, Wong MC, Pitt WR, Montana JG, Manallack DT, et.al.   Estimation of pKa using semi empirical molecular orbital methods. Part 1: Application to phenols and carboxylic acids.Quant Struct‑Act Relat. 2002;21: 457-472
  14. Tehan BG, Lloyd EJ, Wong MC, Pitt WR, Gancia E, Manallack DT. Estimation of pKa using semi empirical molecular orbital methods. Part 2: 2002
  15. Lodge D, Davies SN, Jones MG, Miller J, Manallack DT, Ornstein PL, et.al.  A comparison between the in vivo and in vitro activity of five potent and competitive NMDA antagonists. Br J Pharmacol. 1998; 95:957‑965
  16. Manallack DT, Wong MG, Costa M, Andrews PR, Beart PM. Receptor site topographies for phencyclidine-like and sigma drugs: predictions from quantitative conformational, electrostatic potential and radioreceptor analyses. Mol Pharmacol. 1998; 34:863‑879
  17. Manallack DT, Lodge D, Beart PM. Subchronic administration of MK‑ 801 in the rat decreases cortical binding of [3 H]D‑AP5, suggesting down‑ regulation of the cortical N‑methyl‑D‑ aspartate receptors. Neuroscience. 1998; 30:87‑94
  18. Lodge D, Davies SN, Jones MG, Miller J, Manallack DT, Ornstein PL, et.al. A comparison between the in vivo and in vitro activity of five potent and competitive NMDA antagonists. Br J Pharmacol. 1998; 95:957‑965
  19. Manallack DT, Livingstone DJ. Analysis of linear and non‑linear QSAR data using neural networks. J Med Chem. 1994; 37:3758-3767.
  20. Manallack DT, Andrews PR, Woods EF. Design, synthesis and testing of insulin hexamer‑stabilizing agents. J Med Chem. 1985; 28:1522‑1526

External appointments

  • Chair of RACI Bioactive Discovery and Development group
  • Committee member RACI Pharmaceutical Sciences group
  • Organising Committee MM2010