Dr David Manallack - Researcher Profile

Biography

Position

Senior Lecturer
Faculty of Pharmacy and Pharmaceutical Sciences

Medicinal Chemistry and Drug Action
Monash Institute of Pharmaceutical Sciences

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Qualifications

GRADUATE CERTIFICATE IN HIGHER EDUCATION

Institution: Monash University

Year awarded: 2010

DOCTOR OF PHILOSOPHY

Institution: University of Melbourne, The

Year awarded: 1989

MASTER OF PHARMACY

Institution: Victorian College of Pharmacy

Year awarded: 1985

BACHELOR OF PHARMACY

Institution: Victorian College of Pharmacy

Year awarded: 1982

Publications

Journal Articles

Coupar, I.M., Irving, H.R., Manallack, D.T., Tan, Y.Y., Ayad, F., Di Iulio, J.L., Tochon-Danguy, N., Iskander, M.N., 2012, Assessment of the pharmacological properties of 5-methoxyindole derivatives at 5-HT4 receptors, Journal of Pharmacy and Pharmacology [P], vol 64, issue 8, John Wiley & Sons Ltd, UK, pp. 1099-1106.

Krsta, D., Ku, K.U.C., Crosby, I.T., Capuano, B., Manallack, D.T., 2012, Simplified platensimycin analogues as antibacterial agents, MedChemComm [P], vol 3, issue 2, The Royal Society of Chemistry, UK, pp. 244-249.

Nguyen, W., Howard, B.L., Jenkins, D., Wulff, H., Thompson, P., Manallack, D.T., 2012, Structure-activity relationship exploration of Kv1.3 blockers based on diphenoxylate, Bioorganic & Medicinal Chemistry Letters [P], vol 22, issue 23, Pergamon, UK, pp. 7106-7109.

Howard, B., Thompson, P., Manallack, D., 2011, Active site similarity between human and plasmodium falciparum phosphodiesterases: considerations for antimalarial drug design, Journal Of Computer-Aided Molecular Design [P], vol 25, issue 8, SPRINGER, NETHERLANDS, pp. 753-762.

Nankervis, J., Feil, S., Hancock, N., Zheng, Z., Ng, H., Morton, C., Holien, J., Ho, P., Frazzetto, M., Jennings, I., Manallack, D., Martin, T., Thompson, P., Parker, M., 2011, Thiophene inhibitors of PDE4: crystal structures show a second binding mode at the catalytic domain of PDE4D2, Bioorganic & Medicinal Chemistry Letters [P], vol 21, issue 23, PERGAMON-ELSEVIER SCIENCE LTD, ENGLAND, pp. 7089-7093.

Neale, D., Thompson, P., White, P., Chalmers, D., Yuriev, E., Manallack, D., 2010, Binding mode prediction of PDE4 inhibitors: a comparison of modelling methods, Australian Journal of Chemistry [E], vol 63, issue 3, C S I R O Publishing, Australia, pp. 396-404.

Manallack, D.T., Burden, F.R., Winkler, D.A., 2010, Modelling inhalational anaesthetics using bayesian feature selection and QSAR modelling methods, Chemmedchem [P], vol 5, issue 8, Wiley - V C H Verlag GmbH & Co. KGaA, Germany, pp. 1318-1323.

Hanna-Elias, A., Manallack, D., Berque-Bestel, I., Irving, H., Coupar, I., Iskander, M., 2010, Synthesis and preliminary screening of novel tryptamines as 5-HT4 receptor ligands, Current Medicinal Chemistry [P], vol 17, Bentham Science Publishers Ltd, Chicago Illinois USA, pp. 2775-2787.

Hanna-Elias, A., Manallack, D.T., Levit, A., Nguyen, W., Ayad, F., Perera, G., Shapiro, M., Coupar, I.M., Iskander, M.N., Irving, H.R., 2010, Synthesis, testing and structure-activity studies on a library of 5-HT 4 ligands, Medicinal Chemistry [P], vol 6, issue 6, Bentham Science Publishers Ltd, Oak Park Illinois USA, pp. 344-354.

Nguyen, W., Neale, D., Howard, B., Thompson, P., White, P., Wulff, H., Manallack, D., 2010, Use of Kv1.3 blockers for inflammatory skin conditions, Current Medicinal Chemistry [P], vol 17, issue 26, Bentham Science Publishers Ltd., Netherlands, pp. 2882-2896.

Manallack, D.T., Chalmers, D.K., Yuriev, E., 2010, Using the beta2-adrenoceptor for structure-based drug design, Journal of Chemical Education [P], vol 87, issue 6, American Chemical Society, United States, pp. 625-627.

Capuano, B., Crosby, I.T., Forsyth, C.M., Khakham, Y., Manallack, D.T., 2009, Di-tert-butyl N-[2,6-bis(methoxymethoxy)phenyl]iminodiacetate, Acta Crystallographica Section E: Structure Reports ..., vol 65, issue 819, Wiley-Blackwell Munksgaard, Denmark, pp. 1-10.

Zanatta, S.D., Manallack, D.T., Jarrott, B., williams, s.j., 2009, Synthesis and evaluation of dithiolethiones as novel cyclooxygenase inhibitors, Bioorganic & Medicinal Chemistry Letters [P], vol 19, issue 2, Pergamon, UK, pp. 459-461.

Hanna-Elias, A., Manallack, D.T., Berque-Bestel, I., Irving, H.R., Coupar, I.M., Iskander, M.N., 2009, Synthesis and preliminary screening of novel indole-3-methanamines as 5-HT4 receptor ligands, European Journal of Medicinal Chemistry [P], vol 44, issue 7, Elsevier Masson, France, pp. 2952-2959.

Hanna-Elias, A., Manallack, D.T., Berque-Bestel, I., Irving, H.R., Coupar, I.M., Iskander, M.N., 2009, Synthesis of quinoline derivatives as 5-HT4 receptor ligands, Australian Journal of Chemistry [E], vol 62, issue 2, CSIRO Publishing, Australia, pp. 150-156.

Hanna-Elias, A., Thompson, P., Manallack, D.T., Irving, H.R., Coupar, I.M., Berque-Bestel, I., Iskander, M.N., 2009, The Use of Tripeptides for Lead Discovery of 5-HT4 Receptor Ligands, Protein and Peptide Letters [P], vol 16, issue 7, Bentham Science Publishers Ltd., Netherlands, pp. 805-809.

Manallack, D.T., 2009, The acid-base profile of a contemporary set of drugs: implications for drug discovery, Sar And Qsar In Environmental Research [P], vol 20, issue 7-8, Taylor & Francis Ltd., UK, pp. 611-655.

Manallack, D.T., Crosby, I.T., khakham, Y., Capuano, B., 2008, Plantensimycin: A promising antimicrobial targeting fatty acid synthesis, Current Medicinal Chemistry, vol 15, issue 7, Bentham Science Publishers Ltd, Netherlands, pp. 705-710.

Huuskonen, J., Livingstone, D.J., Manallack, D.T., 2008, Prediction of drug solubility from molecular structure using a drug-like training set, SAR and QSAR in Environmental Research, vol 19, issue 3-4, Taylor and Francis Ltd, UK, pp. 191-212.

Manallack, D.T., 2008, The use of local surface properties for molecular superimposition, Journal of Molecular Modeling, vol 14, issue 9, Springer, Germany, pp. 797-805.

Northfield, S., Manallack, D.T., 2007, Lipophilicity of beta-adrenocepter antagonists: A new classification scheme for clinical use, Journal of Pharmacy Practice and Research, vol 37, issue 2, The Society of Hospital Pharmacists of Australia, Australia, pp. 98-101.

Manallack, D.T., 2007, The pKa Distribution of Drugs: Application to Drug Discovery, Perspectives in Medicinal Chemistry, vol 1, issue 1, Libertas Academica, New Zealand, pp. 25-38.

Manallack, D.T., Hughes, R.A., Thompson, P.E., 2005, The next generation of phosphodiesterase inhibitors: structural clues to ligand and substrate selectivity of phosphodiesterases, Journal of Medicinal Chemistry, vol 48, issue 10, American Chemical Society, USA, pp. 3449-3462.

Manallack, D.T., 2004, Getting drugs out the door: benefits of molecular modelling in drug discovery, Chemistry in Australia, vol 2004, issue August, Royal Australian Chemical Institute, Australia, pp. 14-17.

Manallack, D.T., 2004, Returning to Oz to set up home and business: press 2 for self-employment, Australasian Biotechnology, vol 14, issue 5, Ausbiotech Ltd., Australia, pp. 56-57.

Lloyd, D.G., Buenemann, C.L., Todorov, N.P., Manallack, D.T., Dean, P.M., 2004, Scaffold hopping in De Novo design. Ligand generation in the absence of receptor information, Journal of Medicinal Chemistry, vol 47, issue 3, American Chemical Society, USA, pp. 493-496.

Manallack, D.T., Tehan, B., Gancia, E., Hudson, B.D., Ford, M.G., Livingstone, D.J., Whitley, D.C., Pitt, W.R., 2003, A Consensus Neural Network-Based Technique for Discriminating Soluble and Poorly Soluble Compounds, Journal of Chemical Information and Computer Sciences, vol 43, issue 2, American Chemical Society, USA, pp. 674-679.

Livingstone, D.J., Manallack, D.T., 2003, Neural networks in 3D QSAR, QSAR & Combinatorial Science, vol 22, issue 5, Wiley - V C H Verlag GmbH & Co. KGaA, Germany, pp. 510-518.

Manallack, D.T., Pitt, W.R., Herdewijn, P., Balzarini, J., De Clercq, E., Sanderson, M., Sohi, M., Wien, F., Munier-Lehmann, H., Haouz, A., Delarue, M., 2002, Database searching for Thymidine and Thymidylate Kinase Inhibitors Using Three-dimensional Structure-based Methods, Journal of Enzyme Inhibition and Medicinal Chemistry, vol 17, issue 3, Informa Healthcare, UK, pp. 167-174.

Tehan, B.G., Lloyd, E.J., Wong, M.G., Pitt, W.R., Montana, J.G., Manallack, D.T., Gancia, E., 2002, Estimation of pKa using semiempirical molecular orbital methods. Part 1: application to phenols and carboxylic acids, Quantitative Structure-Activity Relationships, vol 21, issue 5, Wiley - V C H Verlag GmbH, Germany, pp. 457-472.

Tehan, B.G., Lloyd, E.J., Wong, M.G., Pitt, W.R., Gancia, E., Manallack, D.T., 2002, Estimation of pKa using semiempirical molecular orbital methods. Part 2: application to amines, anilines and various nitrogen containing heterocyclic compounds, Quantitative Structure -Activity Relationships, vol 21, issue 5, Wiley- V C H Verlag GmbH, Germany, pp. 473-485.

Manallack, D.T., Pitt, W.R., Gancia, E., Montana, J.G., Livingstone, D.J., Ford, M.G., Whitley, D.C., 2002, Selecting screening candidates for kinase and G Protein-coupled receptor targets using neural networks, Journal of Chemical Information and Computer Sciences, vol 42, issue 5, American Chemical Society, USA, pp. 1256-1262.

Baxter, A.D., Bhogal, R., Bird, J., Keily, J.F., Manallack, D.T., Montana, J.G., Owen, D.A., Pitt, W.R., Watson, R.J., Wills, R.E., 2001, Arylsulphonyl hydroxamic acids: potent and selective matrix metalloproteinase inhibitors, Bioorganic & Medicinal Chemistry Letters, vol 11, issue 11, Pergamon, UK, pp. 1465-1468.

Gancia, E., Manallack, D.T., Green, R.H., 2001, Implementation of a web-based reagent selector for combinatorial libraries, Internet Journal of Chemistry, vol 1, issue 1, InfoTrust Ltd., USA, pp. 2-10.

Gancia, E., Montana, J.G., Manallack, D.T., 2001, Theoretical hydrogen bonding parameters for drug design, Journal of Molecular Graphics and Modelling, vol 19, issue 3-4, Elsevier Inc., USA, pp. 349-362.

Teaching Commitment

• 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

Activities

Affiliations with institutes

Medicinal Chemistry and Drug Action
Monash Institute of Pharmaceutical Sciences

Postgraduate Research Supervisions

Current Supervision

Program of Study:

(DOCTORATE BY RESEARCH).

Thesis Title:

Design and synthesis of antibacterials targeting FabF.

Supervisors:

Manallack, D (Main), Capuano, B (Joint), Crosby, I (Joint).

Program of Study:

(DOCTORATE BY RESEARCH).

Thesis Title:

Targeting phosphodiesterase inhibition for novel antimalarial therapies.

Supervisors:

Manallack, D (Joint-co), Thompson, P (Joint).

Completed Supervision

Student:

Nankervis, J.

Program of Study:

Small molecule inhibitors of PDE4. (PHD) 2012.

Supervisors:

Thompson, P (Main), Manallack, D (Associate).

Student:

Neale, D.

Program of Study:

The design and synthesis of thiophene based phosphodiesteras 4 inhibitors. (PHD) 2012.

Supervisors:

Manallack, D (Joint-Co), Thompson, P (Joint).

Student:

Nguyen, W.

Program of Study:

Development of novel Kv1.3 ion channel blockers based upon diphenoxylate. (PHD) 2012.

Supervisors:

Manallack, D (Main), Thompson, P (Associate), White, P (Associate).

Student:

Sharma, P.

Program of Study:

Inhibition of oxidative protein folding in gram-negative bacteria: fragment-based design of DsbA inhibitors. (PHD) 2011.

Supervisors:

Scanlon, M (Main), Simpson, J (Associate), Manallack, D (Associate).