Dr David Chalmers - Researcher Profile

Biography

Position

Senior Lecturer
Faculty of Pharmacy and Pharmaceutical Sciences

Medicinal Chemistry and Drug Action
Monash Institute of Pharmaceutical Sciences

Qualifications

DOCTOR OF PHILOSOPHY

Institution: University of Melbourne

Year awarded: 1993

SCIENCE

Institution: University of Melbourne

Year awarded: 1987

Publications

Journal Articles

Pinson, J., Schmidt-Kittler, O., Frazzetto, M., Zheng, Z., Jennings, I., Kinzler, K., Vogelstein, B., Chalmers, D.K., Thompson, P., 2012, Synthesis and pharmacological evaluation of 4-iminothiazolidinones for inhibition of PI3 kinase, Australian Journal of Chemistry [E], vol 65, issue 10, CSIRO Publishing, Australia, pp. 1396-1404.

Vinh, N., Simpson, J.S., Scammells, P.J., Chalmers, D.K., 2012, Virtual screening using a conformationally flexible target protein: models for ligand binding to p38 alpha MAPK, Journal Of Computer-Aided Molecular Design [P], vol 26, issue 4, Springer, Netherlands, pp. 409-423.

Flynn, B., Gurmit, G., Grobelny, D., Chaplin, J., Paul, D., Leske, A., Lavranos, T., Chalmers, D., Charman, S., Kostewicz, E., Shackleford, D., Morizzi, J., Hamel, E., Jung, K., Kremmidiotis, G., 2011, Discovery of 7-hydroxy-6-methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)benzo[b]furan (BNC105), a tubulin polymerization inhibitor with potent antiproliferative and tumor vascular disrupting properties, Journal of Medicinal Chemistry [P], vol 54, issue 17, AMER CHEMICAL SOC, USA, pp. 6014-6027.

Wielens, J., Headey, S., Deadman, J., Rhodes, D., Le, G., Parker, M., Chalmers, D., Scanlon, M., 2011, Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1, Chemmedchem [P], vol 6, issue 4, WILEY-BLACKWELL, USA, pp. 258-261.

Pinson, J., Schmidt-Kittler, O., Zhu, J., Jennings, I., Kinzler, K., Vogelstein, B., Chalmers, D., Thompson, P., 2011, Thiazolidinedione-based PI3K alpha inhibitors: an analysis of biochemical and virtual screening methods, Chemmedchem [P], vol 6, issue 3, WILEY-BLACKWELL, USA, pp. 514-522.

King, D., Warren, D., Pouton, C., Chalmers, D., 2011, Using molecular dynamics to study liquid phase behavior: Simulations of the ternary sodium laurate/sodium oleate/water system, Langmuir [P], vol 27, issue 18, AMERICAN CHEMICAL SOCIETY, USA, pp. 11381-11393.

Chalmers, D., Martin, J., Scanlon, M., 2010, Backbone and side chain 1H, 15N and 13C assignments for the oxidised and reduced forms of the oxidoreductase protein DsbA from Staphylococcus aureus, Biomolecular NMR Assignments [P], vol 4, issue 1, Springer Netherlands, Netherlands, pp. 25-28.

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.

Wielens, J., Headey, S., Jeevarajah, D., Rhodes, D., Deadman, J., Chalmers, D., Scanlon, M., Parker, M., 2010, Crystal structure of the HIV-1 integrase core domain in complex with sucrose reveals details of an allosteric inhibitory binding site, FEBS Letters [P], vol 584, issue 8, Elsevier BV, Netherlands, pp. 1455-1462.

McRobb, F., Capuano, B., Crosby, I., Chalmers, D., Yuriev, E., 2010, Homology modeling and docking evaluation of aminergic G protein-coupled receptors, Journal Of Chemical Information And Modeling [P], vol 50, issue 4, American Chemical Society, United States, pp. 626-637.

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.

Yuriev, E., Chalmers, D.K., Capuano, B., 2009, Conformational Analysis of Drug Molecules: A Practical Exercise in the Medicinal Chemistry Course, Journal of Chemical Education [P], vol 86, issue 4, American Chemical Society, Division of Chemical Education, USA, pp. 477-478.

Roberts, B.P., Scanlon, M., Krippner, G.Y., Chalmers, D.K., 2009, Molecular Dynamics of Poly(L-lysine) Dendrimers with Naphthalene Disulfonate Caps, Macromolecules [P], vol 42, issue 7, American Chemical Society, USA, pp. 2775-2783.

Roberts, B.P., Krippner, G.Y., Scanlon, M., Chalmers, D.K., 2009, Molecular dynamics of variegated polyamide dendrimers, Macromolecules [P], vol 42, issue 7, American Chemical Society, USA, pp. 2784-2794.

Chuang, S., Velkov, T., Horne, H.J., Wielens, J., Chalmers, D.K., Porter, C.J., Scanlon, M., 2009, Probing the fibrate binding specificity of rat liver fatty acid binding protein, Journal of Medicinal Chemistry [P], vol 52, issue 17, American Chemical Society, USA, pp. 5344-5355.

Warren, D., Chalmers, D.K., Pouton, C.W., 2009, Structure and dynamics of glyceride lipid formulations, with propylene glycol and water, Molecular Pharmaceutics [E], vol 6, issue 2, American Chemical Society, United States, pp. 604-614.

Ferguson, G.N., Valant, C., Horne, H.J., Figler, H., Flynn, B.L., Linden, J., Chalmers, D.K., Sexton, P., Christopoulos, A., Scammells, P.J., 2008, 2-Aminothienopyridazines as novel adenosine A1 receptor allosteric modulators and antagonists, Journal of Medicinal Chemistry, vol 51, issue 19, American Chemical Society, USA, pp. 6165-6172.

Camerino, M.A., Chalmers, D.K., Thompson, P., 2008, Computer-assisted design of cyclic peptides and peptidomimetics, Chimica Oggi- Chemistry Today, vol 26, issue 5, Tekno Scienze, Italy, pp. 46-51.

Creek, D.J., Chalmers, D.K., Charman, W.N., Duke, B.J., 2008, Quantum chemical study of the intermediate complex required for iron-mediated reactivity and antimalarial activity of dispiro-1,2,4-trioxolanes, Journal of Molecular Modelling and Design, vol 27, issue 3, Elsevier Inc., USA, pp. 394-400.

Camerino, M.A., Kong, D.C.M., Chalmers, D.K., Thompson, P., 2008, Solid phase synthesis and circular dichroism analysis of (i -> i + 4) cyclic lactam analogues of kisspeptin, International Journal of Peptide Research and Therapeutics, vol 14, issue 4, Springer, Netherlands, pp. 323-331.

Roberts, B.P., Scanlon, M., Krippner, G.Y., Chalmers, D.K., 2008, The Dotted Cap Notation: A concise notation for describing variegated dendrimers, New Journal of Chemistry, vol 32, issue 9, Royal Society Chemistry, UK, pp. 1543-1554.

Warren, D.B., Chalmers, D.K., Hutchison, K., Dang, W., Pouton, C.W., 2006, Molecular dynamics simulations of spontaneous bile salt aggregation, Colloids and Surfaces A: Physicochemical and Engineering Aspects, vol 280, issue 1-3, Elsevier Science BV, Amsterdam Netherlands, pp. 182-193.

Perry, C.S., Charman, S.A., Prankerd, R.J., Chiu, F.C.K., Scanlon, M.J., Chalmers, D.K., Charman, W.N., 2006, The binding interaction of synthetic ozonide antimalarials with natural and modified beta-cyclodextrins, Journal of Pharmaceutical Sciences, vol 95, issue 1, John Wiley & Sons, Inc., USA, pp. 146-158.

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., Wattson, K.G., 2005, 2-Ethoxybenzoxazole as a bioisosteric replacement of an ethyl benzoate group in a human rhinovirus (HRV) capsid binder, Bioorganic & Medicinal Chemistry Letters, vol 15, Pergamon-Elsevier Science LTD, Oxford United Kingdom, pp. 2051-2055.

Wielens, J., Crosby, I.T., Chalmers, D.K., 2005, A three-dimensional model of the human immunodeficiency virus type 1 integration complex, Journal of Computer-Aided Molecular Design, vol 19, issue 5, Springer-Verlag Dordrecht, Netherlands, pp. 301-317.

Bartholomeusz, A., Tehan, B.G., Chalmers, D.K., 2004, Comparisons of the HBV and HIV polymerase, and antiviral resistance mutations, Antiviral Therapy, vol 9, issue 2, International Medical Press, UK, pp. 149-160.

Macdonald, S.J., Watson, K.G., Cameron, R., Chalmers, D.K., Demaine, D.A., Fenton, R.J., Gower, D., Hamblin, J.M., 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., 2004, Potent and long-acting dimeric inhibitors of influenza virus neuraminidase are effective at a once-weekly dosing regimen, Antimicrobial agents and chemotherapy, vol 48, issue 12, American Society for Microbiology, USA, pp. 4542-4549.

Krippner, G.Y., Chalmers, D.K., Stanislawski, P.C., Tucker, S.P., Watson, K.G., 2004, Synthesis and antiviral activity of dimeric capsid-binding inhibitors ofhuman rhinovirus (HRV), Australian Journal of Chemistry [E], vol 57, issue 6, CSIRO Publishing, Australia, pp. 553-564.

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., 2003, An orally bioavailable oxime ether capsid binder with potent activity against human rhinovirus, Journal of Medicinal Chemistry, vol 46, issue 15, American Chemical Society, USA, pp. 3181-3184.

Tehan, B.G., Lloyd, E.J., Wong, M.G., Chalmers, D.K., 2002, Analysis of agonism by dopamine at the dopaminergic D2 G-protein coupled receptor based on comparative modelling of rhodopsin, Molecular Stimulation, vol 28, issue 10-11, Taylor & Francis Ltd, UK, pp. 865-888.

Ogru, E., Wilson, J.C., Heffernan, M., Jiang, W., Chalmers, D.K., Libinaki, R., Ng, F.M., 2000, The conformational and biological analysis of a cyclic anti-obesity peptide from the C-terminal domain of human growth hormone, Journal of Peptide Research, vol 56 issue 6, Munksgaard International Publishers, Copenhagen Denmark, pp. 388-397.

Conference Proceedings

Nazmul, R., Chetty, M.R., Samudrala, R., Chalmers, D.K., 2012, Protein structure prediction based on optimal hydrophobic core formation, 2012 IEEE World Congress on Computational Intelligence, 10 June 2012 to 15 June 2012, Institute of Electrical and Electronics Engineers, Inc, Piscataway NJ USA, pp. 1856-1864.

Northfield, S., Camerino, M., Mulvey, H., Ashton, T., Chalmers, D., Kerr, K., Thompson, P., 2007, 7-Azabicycloalkane[2.2.1]heptane-2-carboxylic acids as peptidomimetic conformational restraints - NK2 antagonists as an example, Proceedings of the 4th International Peptide Symposium, 21-25 October, 2007, Australian Peptide Association, Australia, pp. 1-2.

Camerino, M., Thompson, P., Chalmers, D., 2007, New drugs for diabetes: the design and molecular modelling of alpha-amylase peptidomimetics, Proceedings of the 4th international peptide symposium, Australian Peptide Association, Australia, pp. 1-2.

Warren, D., Chalmers, D.K., Pouton, C.W., 2006, Molecular dynamics simulations of mono-, di- and tri-glyceride formulations, Molecular Modelling 2006.

Warren, D., Chalmers, D.K., Pouton, C.W., 2005, Spontaneous aggregation and dynamics of mixed bile salt / phospholipid micelles and lipid formulations using molecular dynamics simulations, Australian Colloid and Interface Symposium, Royal Australian Chemical Institute - Colloid and Surface Science, Sydney NSW Australia, p. 156.

Chalmers, D.K., Stoermer, M.J., Fairlie, D.P., 1998, Modelling studies of molecular receptors, Royal Australian Chemical Institute: 16 NOC, Leura NSW, 12-17 July 1998, RACI Division of Organic Chemistry, http://www.chem.csiro.au/organic/16NOC, p. 130.

Other

Bartholomeusz, A., Chalmers, D.K., Kuiper, M., Tehan, B., 2004, Viral polymerase and modulation thereof, USA.

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:

GPCR Modelling and Application for Structure-based Drug Design.

Supervisors:

Chalmers, D (Joint), Yuriev, E (Joint-co).

Program of Study:

(DOCTORATE BY RESEARCH).

Thesis Title:

Memetic alorithm incorporating maximal core formation concepts for protein structure prediction.

Supervisors:

Chetty, M (Main), Chalmers, D (Associate).

Program of Study:

(DOCTORATE BY RESEARCH).

Thesis Title:

Molecular dynamics simulations of lipid drug delivery systems.

Supervisors:

Chalmers, D (Joint), Pouton, C (Joint-co), Porter, C (Associate).

Program of Study:

(DOCTORATE BY RESEARCH).

Thesis Title:

Novel anti-cancer agents for stabilising g-quadruplex DNA.

Supervisors:

Graham, B (Main), Chalmers, D (Associate), Swarbrick, J (Associate).

Completed Supervision

Student:

Camerino, M.

Program of Study:

Peptidomimetic techniques and their application in the design and synthesis of Kisspeptin analogues. (PHD) 2011.

Supervisors:

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

Student:

Northfield, S.

Program of Study:

Inhibition of protein-protein interactions: cyclic peptides targeting HIV-1 integrase/LEDGF binding. (PHD) 2012.

Supervisors:

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

Student:

Pinson, J.

Program of Study:

PI3 kinase and inhibitors: targeting isoform selectivity. (PHD) 2011.

Supervisors:

Thompson, P (Main), Chalmers, D (Joint).

Student:

Roberts, B.

Program of Study:

Molecular dynamics simulations of dendrimers. (PHD) 2009.

Supervisors:

Chalmers, D (Main), Scanlon, M (Associate).

Student:

Wielens, J.

Program of Study:

MOLECULAR MODELLING OF HIV-1 INTEGRASE. (PHD) 2004.

Supervisors:

Chalmers, D (Joint-Co), Crosby, I (Joint).

Student:

Williams, M.

Program of Study:

Fragment-based discovery and design of bacterial DsbA inhibitors. (PHD) 2012.

Supervisors:

Chalmers, D (Main), Scanlon, M (Associate).