Dr David Chalmers - Researcher Profile

David Chalmers

Address

Faculty of Pharmacy and Pharmaceutical Sciences
381 Royal Parade, Parkville

Contact Details

Tel: +61 3 990 39110

Fax: +61 3 990 39582

Email: David.Chalmers@monash.edu

Web: http://www.monash.edu.au/research/people/profiles/profile.html?sid=2148&pid=3155


Biography

Position

Senior Lecturer
Faculty of Pharmacy and Pharmaceutical Sciences

Medicinal Chemistry
Monash Institute of Pharmaceutical Sciences

Related Links:

Qualifications

DOCTOR OF PHILOSOPHY
Institution: University of Melbourne
Year awarded: 1993
SCIENCE
Institution: University of Melbourne
Year awarded: 1987

Publications

Journal Articles

Vinh, N., Devine, S., Munoz, L., Ryan, R.M., Wang, B.H., Krum, H., Chalmers, D.K., Simpson, J.S., Scammells, P.J., 2015, Design, synthesis, and biological evaluation of tetra-substituted thiophenes as inhibitors of p38alpha MAPK, ChemistryOpen [E], vol 4, issue 1, Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim Germany, pp. 56-64.

La, J., Latham, C.F.M., Tinetti, R.N., Johnson, A.P., Tyssen, D.P., Huber, K.D., Sluis-Cremer, N., Simpson, J.S., Headey, S.J., Chalmers, D.K., Tachedjian, G., 2015, Identification of mechanistically distinct inhibitors of HIV-1 reverse transcriptase through fragment screening, Proceedings Of The National Academy Of Sciences Of The United States Of America [P], vol 112, issue 22, National Academy of Sciences, Washington DC USA, pp. 6979-6984.

Northfield, S.E., Mountford, S.J., Wielens, J., Liu, M., Zhang, L., Herzog, H., Holliday, N.D., Scanlon, M., Parker, M.W., Chalmers, D.K., Thompson, P., 2015, Propargyloxyproline regio- and stereoisomers for click-conjugation of peptides: synthesis and application in linear and cyclic peptides, Australian Journal of Chemistry [E], vol 68, issue 9, CSIRO Publishing, Clayton VIC Australia, pp. 1365-1372.

Yap, B.K., Leung, E.W.W., Yagi, H., Galea, C., Chhabra, S., Chalmers, D.K., Nicholson, S.E., Thompson, P., Norton, R.S., 2014, A potent cyclic peptide targeting SPSB2 protein as a potential anti-infective agent, Journal of Medicinal Chemistry [P], vol 57, issue 16, American Chemical Society, Washington DC USA, pp. 7006-7015.

Birru, W.A., Warren, D., Ibrahim, A.M.H., Williams, H.D., Benameur, H., Porter, C.J., Chalmers, D.K., Pouton, C.W., 2014, Digestion of phospholipids after secretion of bile into the duodenum changes the phase behavior of bile components, Molecular Pharmaceutics [P], vol 11, issue 8, American Chemical Society, Washington DC USA, pp. 2825-2834.

Thomas, T., McLean, K.C., McRobb, F.M., Manallack, D.T., Chalmers, D.K., Yuriev, E., 2014, Homology modeling of human muscarinic acetylcholine receptors, Journal Of Chemical Information And Modeling [P], vol 54, issue 1, American Chemical Society, Washington DC USA, pp. 243-253.

Chin, S.P., Buckle, M.J.C., Chalmers, D.K., Yuriev, E., Doughty, S.W., 2014, Toward activated homology models of the human M1 muscarinic acetylcholine receptor, Journal of Molecular Graphics and Modelling [P], vol 49, Elsevier Inc., Philadelphia PA USA, pp. 91-98.

Camerino, M.A., Chalmers, D.K., Thompson, P., 2013, (+)-Fluorenylethylchloroformate (FLEC) - improved synthesis for application in chiral analysis and peptidomimetic synthesis, Organic & Biomolecular Chemistry [P], vol 11, issue 16, RSC Publishing, Cambridge UK, pp. 2571-2573.

Manallack, D.T., Prankerd, R.J., Nassta, G., Ursu, O., Oprea, T.I., Chalmers, D.K., 2013, A chemogenomic analysis of ionization constants-implications for drug discovery, Chemmedchem [P], vol 8, issue 2, Wiley-VCH Verlag GmbH & Co. KGaA, Germany, pp. 242-255.

Warren, D., King, D.T., Benameur, H., Pouton, C.W., Chalmers, D.K., 2013, Glyceride lipid formulations: Molecular dynamics modeling of phase behavior during dispersion and molecular interactions between drugs and excipients, Pharmaceutical Research [P], vol 30, issue 12, Springer, New York NY USA, pp. 3238-3253.

Pinson, J., Zheng, Z., Miller, M.S., Chalmers, D.K., Jennings, I., Thompson, P., 2013, L-aminoacyl-triazine derivatives are isoform-selective PI3KB inhibitors that target nonconserved Asp862 of PI3KB, A C S Medicinal Chemistry Letters [E], vol 4, issue 2, ACS Publications, USA, pp. 206-210.

Wielens, J., Headey, S.J., Rhodes, D.I., Mulder, R.J., Dolezal, O., Deadman, J.J., Newman, J., Chalmers, D.K., Parker, M.W., Peat, T., Scanlon, M., 2013, Parallel screening of low molecular weight fragment libraries: Do differences in methodology affect hit identification?, Journal of Biomolecular Screening [P], vol 18, issue 2, SAGE Publications Ltd, Thousand Oaks USA, pp. 147-159.

Manallack, D.T., Dennis, M., Kelly, M.R., Prankerd, R.J., Yuriev, E., Chalmers, D.K., 2013, The acid/base profile of the human metabolome and natural products, Molecular Informatics [P], vol 32, issue 5-6, Wiley-VCH Verlag GmbH & Co. KGaA, Germany, pp. 505-515.

Manallack, D.T., Prankerd, R.J., Yuriev, E., Oprea, T.I., Chalmers, D.K., 2013, The significance of acid/base properties in drug discovery, Chemical Society Reviews [P], vol 42, issue 2, RSC Publishing, Cambridge UK, pp. 485-496.

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, ACS Publications, 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.

Kufareva, I., Rueda, M., Katritch, V., Stevens, R.C., Abagyan, R., McRobb, F.M., Capuano, B., Crosby, I.T., Chalmers, D.K., Yuriev, E., Simms, J.W., Sexton, P., Wootten, D.L., Hall, N.E., 2011, Status of GPCR modeling and docking as reflected by community-wide GPCR Dock 2010 assessment, Structure [P], vol 19, issue 8, Cell Press, Cambridge UK, pp. 1108-1126.

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, ACS Publications, USA, pp. 11381-11393.

Chalmers, D., Martin, J.L., 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, 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, CSIRO 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, 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, ACS Publications, 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, ACS Publications, 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, ACS Publications, 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, ACS Publications, 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, ACS Publications, 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, ACS Publications, 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, ACS Publications, 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, ACS Publications, 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, 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, RSC Publishing, 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, IEEE, Institute of Electrical and Electronics Engineers, 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 October 2007 to 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, 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.

Postgraduate Research Supervisions

Current Supervision

Program of Study:
(DOCTORATE BY RESEARCH).
Thesis Title:
Anticancer Drug Discovery: Novel Agents Targeting Sphingolipid Signalling.
Supervisors:
Flynn, B (Main), Chalmers, D (Associate).
Program of Study:
(DOCTORATE BY RESEARCH).
Thesis Title:
Computational Drug Design Targeting HIV-1 Integrase.
Supervisors:
Chalmers, D (Main), Yuriev, E (Associate).
Program of Study:
(DOCTORATE BY RESEARCH).
Thesis Title:
Cyclic Peptide Nanotubes.
Supervisors:
Chalmers, D (Main), Thompson, P (Associate).
Program of Study:
(DOCTORATE BY RESEARCH).
Thesis Title:
Design, synthesis and biological evaluation of Conotoxins peptidomimetics.
Supervisors:
Norton, R (Main), Chalmers, D (Associate).
Program of Study:
(DOCTORATE BY RESEARCH).
Thesis Title:
GPCR Modelling and Application for Structure-based Drug Design.
Supervisors:
Yuriev, E (Main), Chalmers, D (Associate).
Program of Study:
(DOCTORATE BY RESEARCH).
Thesis Title:
In silico study of drug formulations for poorly water-soluble drugs.
Supervisors:
Pouton, C (Main), Chalmers, D (Associate), Porter, C (Associate).
Program of Study:
(DOCTORATE BY RESEARCH).
Thesis Title:
New drugs for the treatment of tuberculosis.
Supervisors:
Chalmers, D (Main), Scanlon, M (Associate), Thompson, P (Associate), Simpson, J (Associate).

Completed Supervision

Student:
Birru, W.
Program of Study:
Molecular dynamics simulations of lipid-based drug delivery systems. (PHD) 2015.
Supervisors:
Pouton, C (Joint-Co), Chalmers, D (Joint), Porter, C (Associate).
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:
La, J.
Program of Study:
Fragment-based lead discovery of novel inhibitors of HIV-1 RT. (PHD) 2013.
Supervisors:
Chalmers, D (Joint-Co), Tachedjian, G (Joint).
Student:
Nazmul, R.
Program of Study:
Multi-modal memetic framework using H-core for low resolution protein structure prediction. (PHD) 2014.
Supervisors:
Chetty, M (Main), Mckemmish, S (Honorary), Chalmers, D (Associate).
Student:
Northfield, S.
Program of Study:
Inhibition of protein-protein interactions: cyclic peptides targeting HIV-1 integrase/LEDGF binding. (PHD) 2012.
Supervisors:
Thompson, P (Joint-Co), Chalmers, D (Joint).
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:
Sundaram, K.
Program of Study:
Structure-Based studies in the Development of Anti-Cancer Enzyme Inhibitors. (PHD) 2015.
Supervisors:
Thompson, P (Main), Chalmers, D (Associate), Jennings, I (Associate).
Student:
Vinh, N.
Program of Study:
p38alpha Mitogen-activated protein kinase inhibitors as anti-inflammatory agents. (PHD) 2014.
Supervisors:
Scammells, P (Joint-Co), Simpson, J (Joint), Chalmers, D (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).