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Prof. Jamshed Anwar
Professor of Computational Pharmaceutical Science
  • Telephone: +44 (0) 1274 236145
  • Email: j.anwar@bradford.ac.uk

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Research Interests

Molecular simulation of systems of pharmaceutical and biological interest.

Specific areas include:

Crystallisation and crystal engineering; Polymorphism and polymorphic phase transformations; Nanocrystals

Lipid membranes & drug penetration enhancement;

Stability and delivery of biopharmaceuticals including proteins and biologics

Phase equilibria; Chemical potential and free energy calculation; Drug/gene delivery through lipid membranes and permeation enhancement
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Education

B. Pharmacy; MSc Crystallography (Birkbeck College London); PhD Chemical Physics/Crystallography (Birkbeck College London);

Mathematics modules, Open University
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Previous Appointments/Sabbaticals

Visiting Fellow (Sidney Sussex College), University Chemical Laboratory, University of Cambridge

Reader, Molecular Biophysics, Pharmaceutical Sciences Division, King’s College London

Visiting Research Faculty, AMOLF Institute of Atomic & Molecular Physics, Amsterdam. The Netherlands

Visiting Research Faculty, Dept of Chemistry, University of Pennsylvania, USA

Laboratory Leader, Glaxo Group Research Ltd. (now known as GSK), Middx. UK
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CV Highlights

*Jinnah Award, Professional of the Year 2009

*Pfizer Award 1999 for ‘studies on molecular simulations of pharmaceutical systems, particularly modelling of the process of crystallisation from solution’

*RP Scherer Award 1986

*World-wide patents on the formulation of the antibiotic Cefuroxime Axetil (Zinnat™ currently earns GSK about £500m/year).
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Memberships of Learned Societies:

*Visiting Professorship for Senior International Scientists, Chinese Academy of Sciences

*Visiting Professor, Chinese Academy of Sciences Shanghai Institute of Materia Medica

*Institute of Physics

*Biophysical Society

*Royal Society of Chemistry (Fellow)

*Royal Pharmaceutical Society of Great Britain (Fellow)

*EPSRC College Review Panel

*British Crystallographic Association (BCA); Elected committee member of the Industrial Group of the BCA, 1993-1999

*British Crystallographic Association (BCA); Elected committee member of the Chemical Crystallography Group of the BCA, 1999-2001.

*British Association of Crystal Growth; Chair of Chemical and Biological Materials subgroup, 1997-2000

*Elected member of the International Centre for Diffraction Data.

*Elected committee member of the Council for the Central Laboratory of the Research Councils’ Collaborative Computational Project (CCP5) on Computer Simulation of Condensed Phases, 1998-2001

*Committee Member and lecturer on CCP5/SIMU Summer School for Methods in Molecular Simulation (Current)
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Selected Publications

Under review

D. Zahn & J. Anwar*, A microscopic rationale for ostwald’s rule of stages, submitted Apr 2010.

A. A. Gurtovenko*, J. Anwar & I. Vattulainen, Defect-mediated trafficking across cell membranes: insights from in silico modelling, Chemical Reviews (Invited), submitted Mar 2010.

N. Periasamy, M. C. Bonner, M. G. Noro & J. Anwar*, Towards a simplified model membrane of skin lipids: synthesis and characterisation of a ternary mixture of ceramide/palmitic acid/cholesterol, submitted Mar 2010.

J. Anwar & D. Zahn, Uncovering molecular processes in crystal nucleation using molecular simulation, review article for Angewandte Chemie Int. Ed. (Invited), submitted Jan 2010.

Published

H. de Waard, A. Amani, J. Kendrick, W. L. J. Hinrichs, H. W. Frijlink,& J. Anwar* (2010) Evaluation and optimization of a force field for crystalline forms of mannitol and sorbitol, J. Phys. Chem. B. 114, 429–436

J. Anwar, P.K. Boateng, R. Tamaki & S. Odedra (2009) The rules governing the design of additives that modulate crystal nucleation, Angewandte Chemie Int. Ed., 48, 1-6.

A.A. Gurtovenko & J. Anwar* (2009) Interaction of ethanol with biological membranes: the formation of non-bilayer structures within the membrane interior and their significance, J. Phys. Chem B. 113, 1983–1992.

A.V. Brukhno, J. Anwar,* R. Davidchack & R. Handel (2008) Challenges with homogeneous ice nucleation in molecular simulation, J. Phys. Conden. Matt. 20, 494293.

R. Notman, J. Anwar, W.J. Briels, M.G. Noro & W.K. den Otter* (2008) Simulations of skin barrier function: free energies of hydrophobic and hydrophillic transmembrane pores in ceramide bilayers, Biophysical Journal, 95, 4763-4771.

A.A. Gurtovenko, O.I. Onike & J. Anwar* (2008) Chemically induced phospholipid translocation acroos biological membranes, Langmuir 24, 9656-9660.

J. Anwar,* P.K. Boateng, R. Tamaki et al.(2008) Control of crystal nucleation: Insights from molecular simulation, Eur. J. Pharm. Sci. 34, 1, S11-S11

J. Chatchawalsaisin, J. Kendrick, S. C. Tuble and J. Anwar*(2008) An optimized force field for crystalline phases of resorcinol, CrystEngComm 10, 437-445.

R. Handel, R.S. Davidchack, J. Anwar & A. Brukhno (2008) Direct calculation of solid-liquid interfacial free energy for molecular systems: TIP4P ice-water interface, Phys. Rev. Lett., 100, 036104.

A.A. Gurtovenko and J. Anwar* (2007) Transdermal drug delivery: Molecular secrets of membrane barrier modulators, World Pharmaceutical Frontiers, March Ed., 46-49

A.A. Gurtovenko & J. Anwar* (2007) Ion transport through chemically-induced pores in protein-free phospholipid membranes, J. Phys. Chem, 111, 13379-13382.

A.A. Gurtovenko & J. Anwar* (2007) Modulating the structure and properties of cell membranes: the molecular mechanism of action of dimethylsulfoxide, J. Phys. Chem. B. 111, 10453-10460.

R. Notman, M. Noro & J. Anwar* (2007) Interaction of oleic acid with dipalmitoylphosphatidylcholine (DPPC) bilayers simulated by molecular dynamics, J. Phys. Chem. B., 111, 12748-12755.

J. Anwar (2007) C++ object oriented programming for scientific computing, Newsletter of the Computational Physics Group, autumn edition Institute of Physics.

R. Notman, W.K. den Otter, M. Noro, W.J. Briels & J. Anwar* (2007) The permeability enhancing mechanism of DMSO in ceramide bilayers simulated by molecular dynamics. Biophysical Journal, 93, 2056-2068.

J. Anwar (2007) From virtual molecules to formulated medicines, Innovations in Pharmaceutical Technology, April 2007, 66-72.

J.Anwar*, J. Chatchawalsaisan, J. Kendrick, & S.C. Tuble (2007) Asymmetric crystal growth of resorcinol from the vapor phase: surface reconstruction and conformational change are the culprits, Angewandte Chemie Int. Ed. 46, 5537-5540.

J. Anwar*, S. Tuble & J. Kendrick (2007) Concerted molecular displacements in a thermally-induced solid-state transformation in crystals of DL-norleucine, J. American Chemical Society, 129,2542-2547.

R. Notman, M. Noro, B. O’Malley & J. Anwar* (2006) Molecular basis for dimethylsulfoxide (DMSO) action on lipid membranes, Journal of the American Chemical Society, 128, 13982-13983.

J. Anwar* & D.M. Heyes (2005) Robust and accurate method for free-energy calculation of charged molecular systems J. Chem. Phys. 122, 224117

S. Tuble, J. Anwar* & J.D. Gale (2004) An approach to developing a forcefield for molecular simulation of martensitic phase transitions between phases with subtle differences in energy and structure. J. Amer. Chem. Soc., 126, 396-405.

B. O’Malley, D.J. Moore, M. Noro, J. Anwar et al. (2004) Towards a mechanical model of skin: Insights into stratum corneum mechanical properties from hierarchical models of lipid organisation, Mechancical properties of Bioinspired and Biological Materials, 844, 167-172.

J. Anwar*, D. Frenkel & M. Noro (2003) Calculation of the melting curve of NaCl. J Chem. Phys., 118, 728-735.

F.X. Sanchez-Castillo, J. Anwar* & D.M. Heyes (2003)Granular compaction by molecular dynamics simulation: multi-granular system. Chemistry of Materials, 15, 3417-3420.

F.X. Sanchez-Castillo, J. Anwar* & D.M. Heyes (2003)Molecular dynamics simulation of compaction of powders. J. Chem. Phys., 118, 4636-4648.

H.A. Wahab, J. Anwar, D.J. Barlow et al. (2001) The effect of a penetration enhancer on lipid membrane – a computational prospective. Biophysical Journal, 80, 1, 327A.

M. Hussain & J. Anwar* (1999) The riddle of resorcinol crystal growth revisited: molecular dynamics simulations of a-resorcinol crystal-water interface. J. Am. Chem. Soc., 121, 8583-8591

F.C. Chan, J. Anwar*, R. Cernik, P. Barnes & R.M. Wilson (1999) Ab initio structure determination of sulfathizole polymorph V from synchrotron powder X-ray diffraction data. J. Appl. Cryst. 32, 436-441.

J. Anwar* & P.K. Boateng (1998) Computer simulation of crystallization from solution. J. Am. Chem. Soc., 120, 9600-9604.

J. Anwar* (1998) Towards crystal engineering: probing crystallization processes by computer simulation, J. Pharm. Pharmac. 50, 51.

R. RezaiFard, J. Anwar* & S.M. Clark (1996) A kinetic study of the B1-B2 phase transition of rubidium iodide as a function of pressure. Materials Science Forum, 228, 1&2, 375-381.

G. Smith*, B.U. Shekunov, J. Shen, P. Duffy, J. Anwar, M.G. Wakerly & R. Chakrabarti (1996) Dielectric analysis of phosphorylcholine head group mobility in egg lecithin liposomes. Pharm. Research, 13,1181-1185.

J. Anwar* & S. Khoshkhoo (1996) Computer simulation of a crystal-liquid interface: application to wettability of a solid. Pharm. Research, 13, 1003-1007.

S. Devani & J. Anwar* (1996) A molecular dynamics study of the effect of defects on the phase transformation pressure of a polymorphic transformation. J. Chem. Phys. 105, 3215-3218.

S. Khoshkhoo & J. Anwar* (1996) Study of the effect of solvent on the morphology of crystals using molecular simulation. J. Chem. Soc. Farad. Trans. 92(6) 1023-1025.

A.K. Sheridan & J. Anwar* (1996) Kinetics of the solid state phase transformation of form alpha to gamma of sulphanilamide using time-resolved energy-dispersive X-ray diffraction. Chemistry of Materials, 8, 1042-1051.

M.M. Harding*, B.M. Kariuki, L. Williams & J. Anwar (1995) DL-Norleucine: Redetermination of structure and observations with synchrotron radiation Laue diffraction on heating towards transformation. Acta Cryst. B51, 1059-1062.

S. Khoshkhoo S & J. Anwar* (1993) Crystallisation of polymorphs: effects of solvent. J. Physics D: Appl. Physics, 26, B90-B93.

J. Anwar (1993) Analysis of time-resolved powder diffraction data using an entire-pattern fitting method with restraints. J. Appl. Cryst. 26, 413-421.

J. Anwar* & P. Barnes (1991) Kinetics of phase transformations in crystals of drug compounds using time-resolved powder x-ray diffraction. Phase Trans. 39, 3-11.

J. Anwar*, P. Barnes, S.M. Clark, E. Dooryhee, D. Hausermann & S.E. Tarling (1990) The use of fast powder diffraction methods to study transformations. J. Material Sci. Lett. 9, 436-439.

J. Anwar*, S.E. Tarling & P. Barnes (1989) The polymorphism of sulphathiazole. J. Pharm. Sci. 78, 337-342