深圳市计算化学与药物设计重点实验室
Lab of Computational Chemistry and Drug Design

Prof. Olaf Wiest

时间:2013-04-03

2011628974835986

Prof. Olaf Wiest
Visiting Prof. (2011 ~ )
Dr. rer. nat. (Ph.D.) University of Bonn
owiest at nd.edu

Prof. Olaf Wiest obtained his Dr. rer. nat (Ph.D.) in 1993 from the University of Bonn in Germany. He then spent two years as a Feodor Lynen Fellow of the Alexander von Humboldt Foundation at UCLA. His research interests mainly focused on computational drug design, biophysics, biochemistry and organic reaction mechanism. He stays at PKUSZ at least 3 months per year.

The homepage of Prof. Wiest: http://www.nd.edu/~owiest/

1. Curriculum Vitae

Olaf Wiest

University Address:278 SHCBDepartment of Chemistry and BiochemistryUniversity of Notre DameNotre Dame IN 46556-5670 (USA)Tel: (574) 631 5876

Education

1993 – 1995            Postdoctoral Fellow with Prof. Dr. K. N. Houk UCLA

1991 – 1993     Dr. rer. nat. (Ph.D.), with Prof. Dr. E. Steckhan, University of Bonn (Germany)

1990 – 1991     Diplom (M.S.), with Prof. Dr. E. Steckhan University of Bonn (Germany)

Professional Experience

2010-2012         Adjunct Professor, HKUST

2007, 2009        Visiting Professor, HKUST

2007                  Visiting Professor, University of California, San Francisco

2005 – present    Professor, Dept. of  Chemistry and Biochemistry, University of Notre Dame

2001 – 2005        Associate Professor, Dept. of Chemistry and Biochemistry, University of Notre Dame

1999-present       Founding Member, Walther Cancer Research Center

1996 – 2001        Assistant Professor, Department of Chemistry and Biochemistry, University of Notre Dame

1995                   Visiting Assistant Professor, Department of Chemistry and Biochemistry, University of Notre Dame

Honors and Awards

2004                Kaneb Teaching Award

2001 – 2006     Camille Dreyfus Teacher-Scholar Award

1998 – 2003     National , Institutes of Health FIRST Award

1997 – 2002     National Science Foundation CAREER Award

1993 – 1995      Feodor Lynen-Fellowship of the Alexander von Humboldt-Foundation

1990 – 1991      Richard-Winther Fellowship

Other Experience and Professional Memberships

2000 – present      Consultant, pharmaceutical industry

2007 – present      Governing Member, Center for Complex Network Research

2008-2014            Member, Governing Board of Reaction Mechanisms Conference

2009                    Guest Editor, Current Topics in Medicinal Chemistry

2009-2012            Member, Editorial Board, J. Phys. Org. Chem.

2009-2013            Member, MSFD Study Section

2010-2014            Member, Editorial Advisory Board, High Throughput Screening & Combinatorial Chemistry

2011-2014            Associate Editor, Beilstein Journal of Organic Chemistry

2.       Publications

1.  A. Gieseler, E. Steckhan, O. Wiest: “Photoinduced Electron-Transfer-Catalyzed Diels-Alder-Reaktion between Indole and 1,3-Cyclohexadienes” Synlett 1990, 275-277.

2.  A. Gieseler, E. Steckhan, O.Wiest, F. Knoch: “Photochemically Induced Radical Cation Diels-Alder Reaction of Indole and Electron-Rich Dienes” J. Org. Chem.1991, 56, 1405-1411.

3.  O.Wiest, E. Steckhan, F. Grein: “Selectivity in Radical-Cation Diels-Alder Reactions of Indole and Electron-Rich Dienes: A Semiempirical Approach” J. Org. Chem. 1992, 57, 4034-4037.

4.  O. Wiest, E. Steckhan: “Electron Transfer Catalyzed Diels-Alder-Reactions with 2-Vinylindoles” Angew. Chem. 1993, 105, 932-934; Angew. Chem. Int. Ed. Engl. 1993, 32, 901-903.

5.  O. Wiest, E. Steckhan: “Radical Cation Diels-Alder Reaction of Indoles and Exocyclic Dienes” Tetrahedron Lett. 1993, 34, 6391-6394.

6.  O. Wiest, A. Gieseler, E. Steckhan: “Synthesis of (-)-(1S,2R,4R)-4,9-diacetyl-2-isopropyl-1,2,3,4-tetrahydro carbazol-1-aldehyde” in: Photochemical Key Steps in Organic Synthesis (Ed.: A.G. Griesbeck, J. Mattay), VCH Weinheim 1994pp. 259-262.

7.  O. Wiest, K.N. Houk: “Condensation and Commentary on: Crystal structures of the monofunctional chorismate mutase from Bacillus subtilis and its complex with a transition state analog (Y.M. Chook, H. Ke and W.N. Lipscomb Proc. Natl. Acad. Sci. USA 1993, 90, 8600)” Chemtracts  1994, 7, 45-48.

8.  O. Wiest, K.A. Black, K.N. Houk: “Density Functional Theory Isotope Effects and Activation Energies for the Cope and Claisen Rearrangements”, J. Am. Chem. Soc. 1994, 116, 10336-10337.

9.  O. Wiest, K.N. Houk; “On the Transition State of the Chorismate-Prephenate Rearrangement”, J. Org. Chem. 1994, 59, 7582-7584

10. O. Wiest, K.N. Houk, K.A. Black, B.E. Thomas IV: “Secondary Kinetic Isotope Effects of Diastereotopic Protons in Pericyclic Reactions. A New Mechanistic Probe” J. Am. Chem. Soc. 1995, 117,  8594-8599.

11. O. Wiest, K.N.Houk: “Stabilization of the Transition State of the Chorismate-Prephenate Rearrangement: An ab initio Study of Enzyme- and Antibody Catalysis” J. Am. Chem. Soc. 1995, 117, 11628-11639.

12. O. Wiest: “DFT Studies of the Methanol Radical Cation Hypersurface” J. Mol. Struct. (THEOCHEM)  1996, 368, 39-48.

13. O. Wiest, K. N Houk: “Density Functional Theory Calculations of Pericyclic Reaction Transition Structures” Top. Curr. Chem. 1996, 183, 1-24.

14. O. Wiest, D. C. Montiel, K. N. Houk: “Quantum Mechanical Methods and the Elucidation of Pericyclic Reaction Mechanisms: Interpretations and Predictions”J. Phys. Chem. A 1997, 101, 8377-8388.

15. K.N. Houk, M. Nendel, O. Wiest, J. Storer: “The Vinylcyclopropane-Cyclopentene Rearrangement: A Prototype Thermal Rearrangement Involving Competing Diradical Concerted and Stepwise Mechanisms” J. Am. Chem. Soc. 1997, 119, 10545-10546.

16.  O. Wiest: “Ab Initio Studies of Ring Opening of the Cyclobutene Radical Cation”J. Am. Chem. Soc. 1997, 119, 7513-7519.

17.  O. Wiest, A. J. Largoza: “Electrostatic Potential Surfaces for the Thymine Dimer and It’s Radical Ions: Insights into Binding and Catalysis” Internet J. Sci.-Biol. Chem. 1997, 1 (electronic publication).

18.  P. Kast, Y. B. Terawi, O. Wiest D. Hilvert, K. N. Houk, R. N. Goldberg: “Thermodynamics of the Conversion of Chorismate to Prephenate: Experimental Results and Theoretical Predictions.” J. Phys. Chem. B, 1997, 101, 10976-10982.

19.  K. Kawamura, M. Shang, O. Wiest, T. P. Fehlner: “Synthesis and Structure of {h5-C5H5Cr}2{m-h6:h6-(m-1,2-C3H6-1,2-C2B4H4)}. An Unusual 24 Electron Triple-Decker Sandwich Complex Containing a Metal-Stabilized, Planar Tetraborobenzene” Inorganic Chemistry 1998, 37, 608-609.

20.  J. Amaudrut, D. J. Pasto, O. Wiest: “Theoretical Studies of the Sulfenate-Sulfoxide Rearrangement” J. Org. Chem. 1998, 63, 6061-6064.

21.  O. Wiest: “Ab Initio Calculations of Organic Transition Structures” In: The Encyclopedia of Computational Chemistry, Vol. 5” P. v. R. Schleyer; N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, P. R. Schreiner. (Eds.); John Wiley & Sons: Chichester, 1998, 3104-3114.

22.  D. J. Gustin, P. Mattei, P. Kast, O. Wiest, L. Lee, W. W. Cleland, D. Hilvert: “Heavy atom isotope effects reveal a highly dissociative transition state for chorismate mutase” J. Am. Chem. Soc. 1999, 121, 1756-1757.

23.  D. B. Sanders, O. Wiest: “A Model of the Enzyme-Substrate Complex of DNA Photolyase and Photodamaged DNA.” J. Am. Chem. Soc. 1999, 121, 5127-5134.

24.  G. D. Reddy; O. Wiest, T. Hudlicky, V. Schapiro, D. Gonzales: “Electron Transfer Catalyzed [2+2] Cycloreversion of Benzene Dimers” J. Org. Chem. 1999, 64, 2860-2863.

25.  U. Haberl, E. Steckhan, O. Wiest: “Theoretical Studies of the Radical Cation Diels-Alder Reaction” J. Am. Chem. Soc. 1999, 121, 6730-6736.

26.  U. Haberl, E. Steckhan, O. Wiest, S. Blechert: “Electron Transfer Catalyzed Diels-Alder Reactions of Vinylindoles with Exocyclic Dienes” Chemistry – Europ. J.1999, 5, 2859-2865.

27.  O. Wiest: “On the Structure and [2+2] Cycloreversion of the Cyclobutane Radical Cation” J. Phys. Chem. A 1999 103, 7907-7911.

28.  J. Oxgaard, O. Wiest: ”The Vinylcyclopropane Radical Cation Rearrangement and Related Reactions on the C5H8•+ Hypersurface” J. Am. Chem. Soc. 1999,121, 11531-11537.

29.  D. A. Plattner, D. Feichtinger, J. El-Bahraoui, O. Wiest: “Coordination Chemistry of Manganese-Salen Complexes Studied by Electrospray Tandem Mass Spectrometry: The Significance of Axial Ligands” Intl. J. Mass. Spectrom. 2000, 195, 351-362.

30.  M. Nendel, D. Sperling, O. Wiest, K. N. Houk: “Computational Explorations of Vinylcyclopropane-Cyclopentene Rearrangements and Competing Diradical Stereoisomerizations” J. Org. Chem. 2000, 65, 3259-3268.

31.  N. J. Saettel, O. Wiest: “[1,5]-H Shifts: Pentadienes and Beyond” J. Org. Chem.2000, 65, 2331-2336.

32.  J. Amaudrut, O. Wiest: “The Thermal Sulfenate-Sulfoxide Rearrangement: A Radical Pair Mechanism” J. Am. Chem. Soc. 2000, 122, 3367-3374.

33.  J. Amaudrut, O. Wiest: “Epoxide Formation by Ring Closure of the Cinnamyloxy Radical” Org. Lett. 2000, 2, 1251-1254.

34.  K. Schroeter, D. Schröder, H. Schwarz, G. D. Reddy, O. Wiest, C. Carra, T. Bally: “Ion Chemistry of anti-o,o’-Dibenzene” Chemistry-Europ. J. 2000, 6, 4422-4430.

35.  D. J. Swinarski, O. Wiest: “Substituent Effects in Pericyclic Reactions of Radical Cations: The Ring Opening of 3-Substituted Cyclobutene Radical Cations” J. Org. Chem. 2000, 65, 6708-6714.

36.  N. Saettel, J. Oxgaard, O. Wiest: “Pericyclic Reactions of Radical Cations” Europ J. Org. Chem. 2001, 1429-1439.

37.  J. El-Bahraoui, O. Wiest, D. Feichtinger, D. Plattner: “Rate Enhancement and Enantioselectivity in the Jacobsen-Katsuki Reaction: The Significance of the Sixth Coordination Site” Angew. Chem. Intl. Ed. Engl. 2001, 40, 2073-2076.

38.  U. H. Hirt, M. F. H. Schuster, A. N. French, O. Wiest, T. Wirth: “Chiral Hypervalent Iodine Compounds” Europ. J. Org. Chem. 2001, 6, 1569-1579.

39.  J. Peller, O. Wiest, P. V. Kamat: “Sonolysis of 2,4 Dichlorophenoxyacetic Acid in Aqueous Solutions.OH Radical Mediated Degradation” J. Phys. Chem. B 2001,105, 3176-3181.

40.  N. J. Saettel, O. Wiest: “DFT Study of the [2+2] Cycloreversion of Uracil Dimer Anion Radical: Waters Matter” J Am. Chem. Soc.2001, 123, 2693-2694.

41.  B. T. Shireman, M. J. Miller, M. Jonas, O. Wiest: “Conformational Study and Enantioselective, Regiospecific Syntheses of Novel Aminoxy trans-Proline Analogs Derived from Acylnitroso Diels-Alder Cycloaddition” J. Org. Chem.2001, 66¸ 6046-6056.

42.  A. T. Radosevich, O. Wiest: “Ab Initio Studies of the Ring-Closing Reaction of the Hexatriene Radical Cation” ” J. Org .Chem. 2001, 66¸ 5808-5813.

43.  O. Wiest: ” Chemical Modelling: Applications and Theory. Volume 1.” (Book Review) J. Am. Chem. Soc. 2001, 123, 9725-9726.

44.  J. Oxgaard, O. Wiest: “Symmetry, Radical Ions, and Butadienes: Exploring the Limits of Density Functional Theory” J. Phys. Chem. A 2001, 105,  8236-8240.

45.  H. Wandel, O. Wiest: “Enediynes in 11-membered rings – Synthesis and Structure of highly strained but unusually stable macrocycles” J. Org. Chem. 2002, 67, 388-393.

46.  J. Oxgaard, O. Wiest “Rehybridized 1,3-Butadiene Radical Cations: How Far Will a Radical Cation Go to Maintain Conjugation? “J. Phys. Chem. A 2002 , 106, 3967-3974.

47.  M. J. Deetz, M. Jonas, C. Forbes, J. Malerich, B. D. Smith, O. Wiest: ” Unusually Low Barrier to Carbamate C-N Rotation” J. Org. Chem 2002, 67, 3949-3952.

48.  N. J. Saettel, O. Wiest, D. A. Singleton, M. P. Meyer: “Computational and experimental isotope effects of an electron transfer catalyzed cycloaddition” J. Am. Chem. Soc. 2002, 124, 11552-11559.

49.  S. B. Braun-Sand, O. Wiest: “Theoretical Studies of Mixed-Valence Transition Metal Complexes for Molecular Computing” J. Phys. Chem. A 2003, 107, 285-291.

50.  S. Braun-Sand, O. Wiest, J. El-Bahraoui: “Computational Studies of Molecular Electronic Devices” In: Molecules as Electronic Devices ACS Symposium Series Vol. 844 (Ed.: M. Lieberman) ACS, Washington, D.C. 2003, 230-242.

51.  A. R. Nicolaescu, O. Wiest, P. V. Kamat “Radical Induced Oxidative Transformation of Quinoline” J. Phys. Chem. A 2003, 107, 427-433.

52.  J. Peller, O. Wiest, P. V. Kamat: “Synergy of Combining Sonolysis and Photocatalysis in the Degradation and Mineralization of Chlorinated Aromatic Compounds” Environ. Sci Tech. 2003, 37, 1926-1932.

53.  J. Oxgaard, O. Wiest “Substituent Effects in the Vinylcyclopropane Radical Cation Rearrangement: A Computational Road to a New Synthetic Tool” Europ. J. Org, Chem, 2003, 1454-1462.

54.  O. Wiest, J. Oxgaard, N. J. Saettel “Structure and Reactivity of Hydrocarbon Radical Cations” Adv. Phys. Org. Chem. 2003, 39, 87-109.

55.   N. J. Saettel, O. Wiest: “Sterically Crowded Bicyclo[1.1.0]butane Radical Cations”J. Org. Chem. 2003, 68, 4549-4552.

56.  A. J. Oliver, O. Wiest, P. Helqu, is, t,, M. J. M, ill, er, M. Tenniswood: “Conformational and SAR Analysis of NAALADase and PSMA Inhibitors”Bioorg. Med. Chem. 2003, 11, 4455-4461.

57.  S. Braun-Sand, O. Wiest “Biasing Mixed-Valence Transition Metal Complexes: In Search of Bistable Complexes for Molecular Computing” J. Phys. Chem. B2003, 107, 9624-9628.

58.  J. Peller, O. Wiest, P. V. Kamat: “ Mechanism of Hydroxyl Radical-Induced Breakdown of the Herbicide 2,4-Dichlorophenoxy, acetic Acid (2,4-D)”Chemistry-Europ. J. 2003, 9, 5379-5387.

59.  M. Pauvert, P. Plaine, M. Jonas, O. Wiest: “Towards an Artificial Oxidative DNA Photolyase” J. Org. Chem. 2004, 69, 543-548.

60.  D.-F. Wang, O. Wiest, P. Helquist, H.-Y. Lan-Hargest, N. L. Wiech: “QSAR studies of PC-3 cell line inhibition activity of TSA and SAHA-like hydroxamic acids” Bioorg. Med. Chem. Lett. 2004, 13, 707-711.

61.  A. P.R. Zabell, P. Helquist, C. V. Stauffacher, O. Wiest “Inhibition studies with rationally designed inhibitors of the human low molecular weight protein tyrosine phosphatase” Bioorg. Med. Chem. 2004, 12, 1867-1880.

62.  O. Wiest, C. B. Harrison, M. Sax, N. J. Saettel, R. Cibulka,  B. König “Design, Synthesis, and Evaluation of a Biomimetic Artificial Photolyase” J. Org. Chem.2004, 69,  8183-8185 (this paper was selected for the cover page of a December 2004 issue of JOC).

63.  D.-F. Wang, O. Wiest, P. Helquist, H.-Y. Lan-Hargest, N. L. Wiech: “On the Function of the 14Å Long Internal Cavity of Histone Deacetylase Like Protein: Implications for the Design of Histone Deacetylase Inhibitors” J. Med. Chem2004, 47, 3409-3417.

64.  P. Ding, P. Helquist, Y. Chen, A. J. Oliver, O. Wiest, M. J. Miller “Synthesis of Conformationally Restricted Molecules as Potential NAALADase/PSMA Inhibitors” Organic Letters 2004 6, 1805-1808.

65.  J. Peller, O. Wiest; P. V. Kamat “Hydroxyl Radical’s Role in the Remediation of a Common Herbicide, 2,4-Dichlorophenoxyacetic acid (2,4-D)” J. Phys. Chem B2004, 108, 10925-10933.

66.  A. R. Nicolaescu, O. Wiest, P. V. Kamat “Mechanistic pathways of the hydroxyl radical reactions of quinoline. 1. Identification, distribution and yields of hydroxylated products” J. Phys. Chem. A 2005 109, 2822-2829

67.  A. R. Nicolaescu, O. Wiest, P. V. Kamat “Mechanistic pathways of the hydroxyl radical reactions of quinoline.  2. Computational analysis of .OH attack at C-atoms” J. Phys. Chem. A 2005, 109, 2829-2835.

68.  L. O’Neil, C. B. Harrison, O. Wiest “Computational Studies of DNA Photolyase”J. Phys. Chem. A 2005, 109, 7001-7012.

69.  E. Kieken, O. Wiest, P. Helquist, M. E. Cucciolito, G. Flores, A. Vitagliano, P.O. Norrby  “Chiral diamine-silver(I)-alkene complexes: a quantum chemical and NMR study” Organometallics, 2005, 24, 3737-3745.

70.  D.-F. Wang, O. Wiest, P. Helquist, N. L. Wiech “Towards Selective HDAC Inhibitor Design:  Homology Modeling, Docking Studies, and Molecular Dynamics Simulations of Human ClassI HDACs” J. Med. Chem. 2005, 48,6936-6947.

71.  S. K. Wright, M. DeClue, A. Mandal, L. Lee, O. Wiest, W. W. Cleland, D. Hilvert “Isotope Effects on the Enzymatic and Non-Enzymatic Reactions of Chorismate”J. Am. Chem. Soc. 2005, 127, 12957-12964.

72.  L. L. O’Neil, O. Wiest “A Selective, Non-Covalent Assay for Base Flipping in DNA” J. Am. Chem. Soc. 2005, 127, 16800-16801.

73.  N. Saettel, O. Wiest: “Hydrogen Bonding and Solvation Effects on the Cycloreversion of Uracil Dimers: a DFT Study” Tetrahedron 2006, 62, 6490-6500.

74.  A. P.R. Zabell, A. D. Schroff jr.; R. L. van Etten, O. Wiest,  C. V. Stauffacher “Crystal structure of human B-form low molecular weight phosphotyrosyl phosphatase at 1.6 Å resolution” J. Biol. Chem. 2006, 281, 6520-6527.

75.  P. Donoghue; O. Wiest, “Structure and Reactivity of Radical Cations: New Twists on Old Concepts” Chemistry- Europ. J. 2006, 12, 7018-7026.

76.  L. L. O’Neil, O. Wiest “Acyclic or Long-bond Intermediate in the ETC Dimerization of 4-Methoxystyrene” J. Org. Chem 2006, 71, 8926-8933.

77.  J. A. Weitgenant, I. Katsuyama, M. A. Bigi, S. J. Corden, J. T. Markiewicz, A. P. R. Zabell, K. T. Homan, O. Wiest, C. V. Stauffacher, P. Helquist “Synthesis of 5-Azaindole as a  Computationally Designed Inhibitor of the Low Molecular Weight Phosphatase HCPTP” Heterocycles 2006, 70, 599-607.

78.  K. C. Fortner, D. S. Laitar, J. Muldoon, S. B. Braun-Sand, O. Wiest, L. Pu, S. N. Brown “Ultrafast and Ultraslow Oxygen Atom Transfer Reactions Between Late Metal Centers” J. Am. Chem. Soc. 2007, 129, 588-600.

79.  P. Donoghue; P. Helquist, O. Wiest “Ligand and Substrate Effects on the Mechanism of Rhodium-Catalyzed Hydrogenation of Enamides” J. Org. Chem.2007, 72, 839-847.

80.  N. A. Valley, O. Wiest “Substitutent Effects in Radical Cation Diels-Alder Reactions” J. Org. Chem. 2007, 72, 559-566.

81.  D.-F. Wang, O. Wiest, P. Helquist “Zinc Binding in HDAC Inhibitors. A DFT Study” J. Org. Chem. 2007, 72, 5446-5449.

82.  P. J. Donoghue; E. Kieken, P. Helquist, O. Wiest “Development of a Q2MM Force field for the Silver Catalyzed Hydroamination of Alkynes” Adv. Synth. Catal.2007, 349, 2647-2654.

83.  A. T. Johnson, O. Wiest “Structure and Dynamics of Poly(T) Single Strand DNA: Implications Toward CPD Formation” J. Phys. Chem. B 2007, 111, 14398-14404.

84.   L. L. O’Neil, A. Grossfield, O. Wiest “Base Flipping of the Thymine Dimer in Duplex DNA” J. Phys. Chem. B 2007, 111, 11843-11849.

85.  L. L. O’Neil, O. Wiest “Sequence dependence in base flipping: experimental and computational studies” Org. Biomol. Chem 2008, 6, 485-492.

86.  L. W. Chung, O. Wiest, Y. Wu “A Theoretical Study on the trans-Addition Intramolecular Hydroacylation of 4-Alkynals Catalyzed by Cationic Rhodium Complexes” J. Org. Chem. 2008, 73, 2649-2655

87.  L. L. O’Neil, O. Wiest “Structures and Energetics of Base Flipping of the Thymine Dimer Depend Upon DNA Sequence” J. Phys. Chem B. 2008, 112, 4113-4122.

88. G. Estiu, E. Greenberg, C. B. Harrison, R. Mazitschek, J. E. Bradner, O. Wiest “On the structural origin of selectivity in Class II selective Histone Deacetylase Inhibitors” J. Med. Chem. 2008, 51, 2898-2906

89.  S. Weerasinghe, G. Estiu, O. Wiest, M. K. H. Pflum “Residues in the 11 Å Channel of Histone Deacetylase 1 Promote Catalytic Activity” J. Med. Chem.2008, 51, 5543-5551.

90.  J. M. Plummer, J. A. Weitgenant, B. C. Noll, J. W. Lauher, O. Wiest, P. Helquist “Synthesis, Structure, and Metal Complexation Behavior of a New Type of Functionalized Chiral Phenanthroline Derivatives” J. Org. Chem 2008, 73, 3911-3914.

91.  O’Daniel, P.; Jefferson, M.; Wiest, O. Seley-Radtke, K. L. “A Computational Study of Expanded Heterocyclic Nucleosides in DNA” J. Biomol. Struct. Dyn.2008, 28, 283-292.

92.  C. S. Sevov, O. Wiest “Selectivity in the Electron Transfer Catalyzed Diels-Alder Reaction of (R)-a-Phellandrene and 4-Methoxystyrene” J. Org. Chem2008, 73, 7909–7915

93.  P. J. Donoghue, P. Helquist, P. O. Norrby, O. Wiest” Development of a Q2MM Force Field for the Asymmetric Rhodium Catalyzed Hydrogenation of Enamides” J. Chem. Theor. Comp. 2008, 4 1313-1323.

94.  J. M. Carney, P. J. Donoghue, W. M. Wuest, O. Wiest, P. Helquist “Intramolecular Hydroamination of Aminoalkynes with Silver-Phenanthroline Catalysts” Org. Lett 2008, 10, 3903-3906.

95.  P. J. Donoghue, P. Helquist, P. O. Norrby, O. Wiest ”Fast and Accurate Prediction of Enantioselectivity in Rhodium Catalyzed Hydrogenations” J. Am. Chem. Soc. 2009, 131, 410-411.

96.  A. L. Bowers, T. J. Greshok, N. West, G. Estiu, S. L. Schreiber, O. Wiest, R. M.  Williams, J. E. Bradner “Synthesis and Conformation-Activity Relationships of the Peptide Isosteres of FK228 and Largazole” J. Am. Chem. Soc. 2009,131, 2900-2905.

97.  D.-S. Lee, H. Burd, J. Liu; E. Almaas, O. Wiest, A.-L. Barabasi, Z. N. Oltvai, V. Kapatral “Comparative genome-scale metabolic reconstruction and flux balance analysis of multiple Staphylococcus aureus genomes identify novel anti-microbial drug targets” J. Bact.2009, 191, 4015-4024

98. N. L. Wiech, J. Fischer, P. Helquist, O. Wiest „Inhibition of Histone Deacetylases: a Pharmacological Approach to the Treatment of Non-Cancer Disorders“ Curr. Top. Med Chem. 2009 9, 257-271.

99.  Bowers, A. L.; West, N.; Newkirk, T. L.; Troutman-Youngman, A. E.; Schreiber, S. L.; Wiest, O.; Bradner, J. E., Williams, R. M. “Synthesis and HDAC Inhibitory Activity of Largazole Analogs: Alteration of the Zinc-Binding Domain and Macrocyclic Scaffold” Org. Lett  2009, 11, 1301-1304.

100. Charrier, C.; Gesson, J.-P.; Estiu, G.; Wiest, O.; Roche, J.; Bertrand, P. “Epigenetic Modulation Properties of New Benzofuranones Histone Deacetylases Inhibitors” J. Med. Chem 2009, 52, 3112-3115.

101.  P. Helquist, O. Wiest “Current Status of Drug Therapy Development for Niemann Pick Type C Disease” Drugs Fut. 2009, 34, 315-331.

102.  O. Wiest “Methods and Non-Cancer Applications of HDAC Inhibition” Curr. Top. Med. Chem.2009, 9, 226.

103.  Y. Lan, L. Deng, J. Liu, C. Wang, O. Wiest, Z. Yang, Y.-D. Wu „On the Mechanism of the Palladium Catalyzed Intramolecular Pauson-Khand-Type Reaction” J. Org. Chem.2009, 74, 5049-5058.

104. Cosner, C. C.; Markiewicz, J. T.; Bourbon, P.; Mariani, C. J.; Wiest, O.; Huang, A.; Pipalia, N. H.; Rujoi, M.; Maxfield, F.; HelquistP. “Investigation ofN-aryl-3-alkylidenepyrrolinones as potential Niemann-Pick type C disease therapeutics” J. Med. Chem. 2009, 52, 6494-6498.

105. J. C. Adams, M. J. Keiser, L. Basuino, H. F. Chambers, D.-S. Lee, O. Wiest, P.C. Babbitt  “The Chemical Diversity of Drugs from the Viewpoint of Small Molecule Metabolism “PLoS Comp. Biol. 2009, 5, e1000474

106.  C.-S. Zuo, O. Wiest, Y.-D. Wu “Effective Metal Ionic Radii Incorporating UAHF Radii for IEFPCM Model I. Parameterization and Validation on Stability Constants of Metal-Pyridine and Metal-Bipyridine Complexes”J. Phys. Chem. A2009, 113, 12028-12034.

107. Y. Shen, J. Liu, G. Estiu, B. Isin, D-S. Lee, A-L. Barabási, V. Kapatral, O. Wiest, Z. N. Oltvai “A blueprint for antimicrobial hit discovery targeting metabolic networks” Proc. Natl. Acad. Sci.  2010, 107, 1082-1087.

108. C. S. Sevov, O. Wiest “Selectivity in the Electron Transfer Catalyzed Diels-Alder Reactions” In: Wiley Series in Reactive Intermediates (M. Forbes, Ed.) Wiley & Sons, New York 2010. pp 61-82.

109. J. T. Markiewicz, D. J. Schauer, J. Löfstedt, S. J. Corden, O. Wiest, P. Helquist “Synthesis of 4-Methyldienoates Using a Vinylogous Horner-Wadsworth-Emmons Reagent. Application to the Synthesis of Trichostatic Acid”J. Org. Chem. 2010, 75, 2061-2064.

110. V. B. R. Iska, V. Verdolino, O. Wiest, P. Helquist “Mild and Efficient Desymmetrization of Diynes via Hydroamination: Application to the Synthesis of (±)Monomorine I” J. Org. Chem 2010, 75, 1325-1328.

111.  A. Chatterjee, J. Richter, T. Hulett, V. B. R. Iska, O. Wiest, P. Helquist “An Efficient Synthesis of (±)-Trichostatic Acid and Its Analogues: A New Route to Trichostatin  A” Org. Lett. 2010, 12, 832-834.

112. S. N. Lill,  P. Donoghue, A. Forbes, V. Verdolino, O. Wiest, P. Rydberg, , P.O. Norrby “Application of Q2MM for Stereoselective Reactions” Curr. Org. Chem. 2010 in press.

113. V. Verdolino, A. Forbes, P. Helquist, P. O. Norrby, O. Wiest “On the Mechanism of the Rhodium Catalyzed Acrylamide Hydrogenation” J. Mol. Cat A 2010, 324, 9-14.

114. K. T. Homann, A. P. Zabell, D. Balasubramaniam, O. Wiest, P. Helquist, C. V. Stauffacher “Identification of Novel Inhibitors for the Low Molecular Weight Protein Tyrosine Phosphatase via
Virtual Screening “Bioorg. Med. Chem. 2010, 18, 5449-5456.

115. S. T. Henriksen, J. Liu, G. Estiu,, Z. N. Oltvai, O. Wiest “Novel histidine biosynthesis inhibitors using docking, ensemble rescoring and whole cell assays”Bioorg. Med. Chem. 2010, 18, 5148-5156. ,

116. G. Estiu, E. Greenberg, R. Mazitschek, J. E. Bradner, O. Wiest “On the Inhibition of HDAC8” <, I style=”mso-bidi-font-style: normal”>Bioorg. Med. Chem. 2010, 18, 4103-4110.

117. J. T. Markiewicz, O. Wiest, P, Helquist “Synthesis of Primary Aryl Amines Through a Copper Assisted Aromatic Substitution Reaction Using Sodium Azide”J. Org. Chem. 2010, 75, 4887-4890.

118. A. I. Rosenbaum, C. C. Cosner, C. J. Mariani, F. R. Maxfield, O. Wiest, P. Helquist “Thiadiazole Carbamates: Potent Inhibitors of Lysosomal Acid Lipase and Potential Niemann-Pick Type C Disease Therapeutics. ” J. Med. Chem. 2010, 53, 5281-5289.

119. P. Filippakopoulos, J. Qi, S. Picaud, Y. Shen, W. B. Smith, O. Fedorov, E. M. Morse, T. Keates, T. T. Hickman, I. Felletar, M. Philpott, S. Munro, N. West, M. J. Cameron, T. Heightman, N. LaThangue, A. Kung, C. A. French, O. Wiest, S. Knapp, J. E. Bradner “Selective inhibition of BET bromodomains” Nature 2010,468, 1067-1073.

120. C.-S. Zuo, M.-X. Wang, O. Wiest, Y.-D. Wu “Theoretical study on the structural features and conformational stabilities of heteroatom-bridged calixarenes” J. Phys. Org. Chem 2011 DOI:10.1002/poc.1840

121. V. Verdolino, A. Forbes, P. Helquist, O. Wiest “Quantum Mechanical Studies of Transition Metal Catalyzed Hydrogenations” Top. Organomet. Chem 2011, accepted.

122. N. H. Pipalia, C. C. Cosner, A. Huang, A. Chaterjee, P. Bourbon, N. Farley, P. Helquist, O. Wiest, F. R. Maxfield “Histone deacetylase (HDAC) inhibitor treatment dramatically reduces cholesterol accumulation in lysosomal storage organelles of Niemann-Pick Type C1 human fibroblasts Histone deacetylase (HDAC) inhibitor treatment dramatically reduces cholesterol accumulation in lysosomal storage organelles of Niemann-Pick Type C1 human fibroblasts”Proc. Natl. Acad. Sci.  2011, 108, in press

3. Invention Disclosures and Patents

1.    U.S. Provisional Patent Application No.:  60/282,317

Title:  Method for Predicting and Optimizing NAALADase Inhibition Activity

Filing Date:  April 5, 2001

2.    U.S. Provisional Patent Application No.:  None (Invention Disclosure Only)

Title: Computational Model for Function of the Active Site Region of Histone Deacetylase as Basis of Design of Enzyme Inhibitors and of Promoters of Gene Expression

Filing Date:  October 12, 2001 (Disclosure Date)

3.    U.S. Provisional Patent Application No.:  60/511,362

Title: Synthesis of Trichostatin A

Filing Date:  September 12, 2003

4.    U.S. Provisional Patent Application No.:  None (Invention Disclosure Only)

Title: New Synthesis of Trichostatin A

Filing Date:  October 16, 2003 (Disclosure Date)

5.    U.S. Provisional Patent Application No.:  60/566,179

Title:Biomimetic Artificial Photolyase

Filing Date:  April 29, 2004

6.    Intl. Patent Application No.:  WO 2007-US64824

Title: Method of virtual screeneing of catalyst chiral ligands for prediction of reaction product enantiomeric excess

Filing Date:  March 23, 2007

7.    Intl. Patent Application No.:  US 12/888,267

Title: Histone Deacetylase Inhibitors as Therapeutic Agents of Lysosomal Storage Disorders

Filing Date:  September 22, 2010