Stephen Doughty

Contact

• workBlock A
  Malaysia Campus
  Jalan Broga
  43500 Semenyih
  Selangor Darul Ehsan
  Malaysia
• work+6 (03) 8924 8200
• fax+6 (03) 8924 8013
• stephen.doughty@nottingham.ac.uk

Biography

I am the Vice-Provost for Teaching and Learning at the Malaysia Campus and hence drive strategic initiatives in this area on the Campus.

My research in the School of Pharmacy focuses on Computer-aided drug design. Using computers to model proteins and drug molecules and rationalise the drug design process. Particular emphasis upon anti-cancer drug design, including using novel techniques such as QM/MM hybrid approaches to model the conversion of harmless pro-drugs in to anti-cancer therapeutic drugs. Also, modelling membrane-bound proteins such as GPCRs and ion channels for drug design.

Expertise Summary

Computer-aided drug design. Using computers to model proteins and drug molecules and rationalise the drug design process. Particular emphasis upon anti-cancer drug design, including using novel techniques such as QM/MM hybrid approaches to model the conversion of harmless pro-drugs in to anti-cancer therapeutic drugs. Also, modelling membrane-bound proteins such as GPCRs and ion channels for drug design.

Teaching Summary

I oversee all aspects of Teaching and Learning at the University of Nottingham Malaysia Campus.

Mys specific teaching are is chemistry for Pharmacy students - specifically physical and medicinal chemistry.

Research Summary

Molecular modelling of protein structure for rational drug design. Particularly modelling membrane proteins (especially GPCRs and ion channels) and proteins associated with anti-cancer drug design.

Selected Publications

• MUNUSAMY V, YAP BK, BUCKLE MJC, DOUGHTY SW and CHUNG LY, 2013. Structure-Based Identification of Aporphines with Selective 5-HT(2A) Receptor-Binding Activity. Chemical biology & drug design. 81, 250-256
• BEOW KEAT YAP, MICHAEL J. C. BUCKLE and STEPHEN W. DOUGHTY, 2012. Homology modeling of the human 5-HT(1A), 5-HT (2A), D1, and D2 receptors: model refinement with molecular dynamics simulations and docking evaluation. Journal of Molecular Modeling. 18(8), 3639-3655
• DE MATTEIS, C.I., SIMPSON, D.A., DOUGHTY, S.W., EUERBY, M.R., SHAW, P.N. and BARRETT, D.A., 2010. Chromatographic retention behaviour of n-alkylbenzenes and pentylbenzene structural isomers on porous graphitic carbon and octadecyl-bonded silica studied using molecular modelling and QSRR Journal of Chromatography. A. 1217(44), 6987-6993
• DAVIES, M.J., BRINDLEY, A., CHEN, X., DOUGHTY, S.W., MARLOW, M. and ROBERTS, C.J., 2009. A quantitative assessment of inhaled drug particle-pulmonary surfactant interaction by atomic force microscopy Colloids and Surfaces. B, Biointerfaces. 73(1), 97-102

• View all publications

Future Research

Please do contact me if you have any collaborations that you think that my expertise would prove assistance with.

• MUNUSAMY V, YAP BK, BUCKLE MJC, DOUGHTY SW and CHUNG LY, 2013. Structure-Based Identification of Aporphines with Selective 5-HT(2A) Receptor-Binding Activity. Chemical biology & drug design. 81, 250-256
• BEOW KEAT YAP, MICHAEL J. C. BUCKLE and STEPHEN W. DOUGHTY, 2012. Homology modeling of the human 5-HT(1A), 5-HT (2A), D1, and D2 receptors: model refinement with molecular dynamics simulations and docking evaluation. Journal of Molecular Modeling. 18(8), 3639-3655
• DE MATTEIS, C.I., SIMPSON, D.A., DOUGHTY, S.W., EUERBY, M.R., SHAW, P.N. and BARRETT, D.A., 2010. Chromatographic retention behaviour of n-alkylbenzenes and pentylbenzene structural isomers on porous graphitic carbon and octadecyl-bonded silica studied using molecular modelling and QSRR Journal of Chromatography. A. 1217(44), 6987-6993
• DAVIES, M.J., BRINDLEY, A., CHEN, X., DOUGHTY, S.W., MARLOW, M. and ROBERTS, C.J., 2009. A quantitative assessment of inhaled drug particle-pulmonary surfactant interaction by atomic force microscopy Colloids and Surfaces. B, Biointerfaces. 73(1), 97-102
• ABUKHADER, MM, HEAP, J, DE MATTEIS, CI, DOUGHTY, SW, MINTON, N and PAOLI, M, 2007. Crystallization And Preliminary X-Ray Characterization Of The Bacillus Amyloliquefaciens Ywro Enzyme Acta Crystallographica Section F-Structural Biology And Crystallization Communications. 63, 746-750
• WARNER, DJ, VADOLIA, MM, LAUGHTON, CA, KERR, ID and DOUGHTY, SW, 2007. Modelling The Restoration Of Wild-Type Dynamic Behaviour In Delta F508-Cftr Nbd1 By 8-Cyclopentyl-1,3-Dipropylxanthine Journal Of Molecular Graphics & Modelling. 26(3), 691-699
• BANKS, E.C., DOUGHTY, S.W., TOMS, S.M., WHEELHOUSE, R.T. and NICOLAOU A., 2007. Inhibition of cobalamin-dependent methionine synthase by substituted benzo-fused heterocycles FEBS Journal. 274(1), 287-299
• RICHARDSON, JC, FOSTER, CS, DOUGHTY, SW, BURTON, JS, MACRAE, RJ and MELIA, CD, 2006. The Influence Of L-Amino Acid Molecular Structure On The Phase Transition Temperature Of Hydroxypropyl Methylcellulose Carbohydrate Polymers. 65(1), 22-27
• YATES, AS, DOUGHTY, SW, KENDALL, DA and KELLAM, B, 2005. Chemical Modification Of The Naphthoyl 3-Position Of Jwh-015: In Search Of A Fluorescent Probe To The Cannabinoid Cb2 Receptor Bioorganic & Medicinal Chemistry Letters. 15(16), 3758-3762
• ABUKHADER, M., HEAP, J., DE MATTEIS, C., KELLAM, B., DOUGHTY, S.W., MINTON, N. and PAOLI, M., 2005. Binding of the anticancer prodrug CB1954 to the activating enzyme NQ02 revealed by the crystal structure of their complex Journal of Medicinal Chemistry. 48(24), 7714-7719
• DAVIES, M., BRINDLEY, A., CHEN, X., MARLOW, M., DOUGHTY, S.W., SHRUBB, I. and ROBERTS, C.J., 2005. Characterization of drug particle surface energetics and Young's modulus by atomic force microscopy and inverse gas chromatography Pharmaceutical Research. 22(7), 1158-1166
• JENKINS, TC, MOORES, SL, DOUGHTY, SW and KNOX, RJ, 2003. 'Ping-pong' flavin reduction in NQO2: Mechanism studies and bioreduction In: British Cancer Research Meeting 2003. S32-S32
• MOORES, SL, DOUGHTY, SW, PHILLIPS, RM and JENKINS, TC, 2003. QM/MM computational study of interaction of NQO1 with bioreducible indolequinones In: British Cancer Research Meeting 2003. S31-S31
• GRIMSEY, I.M., OSBORN, J.C., DOUGHTY, S.W., YORK, P. and ROWE, R.C., 2002. The application of molecular modelling to the interpretation of inverse gas chromatography data Journal of Chromatography A. 969(1-2), 49-57
• ABOU-ZEID, N., JAFFAR, M., STRATFORD, I.J., DOUGHTY, S.W. and PHILLIPS, R.M., 2001. Novel regioisomeric naphthoquinones as bioreductively-activated cytotoxins Clinical Cancer Research. 7(11), S371
• SUNKERSETT, M.R., GRIMSEY, I.M., DOUGHTY, S.W., OSBORN, J.C., YORK, P. and ROWE, R.C., 2001. The changes in surface energetics with relative humidity of carbamazepine and paracetamol as measured by inverse gas chromatography European Journal of Pharmaceutical Sciences. 13(2), 219-225
• DOUGHTY, SW and PHILLIPS, RM, 2000. Molecular Modelling Of Human Dt-Diaphorase For Enzyme-Directed Bioreductive Drug Design Molecular Simulation. 24, 209-214
• PHILLIPS, R M, NAYLOR, M A, JAFFAR, M, DOUGHTY, S W, EVERETT, S A, BREEN, A G, CHOUDRY, G A and STRATFORD, I J, 1999. Bioreductive activation of a series of indolequinones by human DT-diaphorase: structure-activity relationships. Journal of Medicinal Chemistry. 42(20), 4071-80
• DOUGHTY, S W, BLANEY, F E, ORLEK, B S and RICHARDS, W G, 1998. A molecular mechanism for toxin block in N-type calcium channels. Protein Engineering. 11(2), 95-9
• HARDY, BJ, DOUGHTY, SW, PARRETTI, MF, RICHARDS, WG and TENNISON, J, 1997. First Molecular Graphics And Modelling Society Electronic Conference Journal of Molecular Graphics and Modelling. 15, 141-144
• HARDY, BJ, DOUGHTY, SW, PARRETTI, MF, TENNISON, J, FINN, BE and GARDNER, K, 1997. Internet Conferences In Nmr Spectroscopy Progress in Nuclear Magnetic Resonance Spectroscopy. 31, 107-117
• DOUGHTY, SW, FITZSIMMONS, BW and REYNOLDS, CA, 1997. Theoretical Studies Of The Intramolecular Mechanism For The Alkoxyphosphazene To Alkoxyphosphazene Transformation Journal Of The Chemical Society-Dalton Transactions. 367-370
• HARDY, BJ, DOUGHTY, SW, PARRETTI, MF, TENNISON, J and WILSON, I, 1997. Internet Conferences In Glycobiology Glycobiology. 7(6), R9-R12
• DOUGHTY, SW and REYNOLDS, CA, 1996. Simulations On The Activation Of The Bradykinin B-2 Receptor Trends in Biochemical Sciences. 21(1), 259-263
• KROEMER, RT, DOUGHTY, SW, ROBINSON, AJ and RICHARDS, WG, 1996. Prediction Of The Three-Dimensional Structure Of Human Interleukin-7 By Homology Modeling Protein Engineering. 9(6), 493-498
• DOUGHTY, SW, BLANEY, FE and RICHARDS, WG, 1995. MODELS OF THE ION PORE IN N-TYPE VOLTAGE-GATED CALCIUM CHANNELS Journal of Physiology. 489P, 69-70
• DOUGHTY, SW, BLANEY, FE and RICHARDS, WG, 1995. Models Of Ion Pores In N-Type Voltage-Gated Calcium Channels Journal Of Molecular Graphics. 13(6), 342-348