Chronological order

    2022 - 6 publications
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  1. Burai-Patrascu, M.; Nivedha, A. K.; Rostaing, O.; Chukka, P.; Moitessier, N.; Pottel, J.
    The First CACHE Challenge – Identifying Binders of the WD-Repeat Domain of Leucine-Rich Repeat Kinase 2.
    ChemRXiv - preprint 2022. link

  2. Plescia, J.; Hedou, D.; Pousse, M.; Labarre, A.; Dufresne, C.; Mittermaier, A.K.; Moitessier, N.
    Computer-aided design, synthesis, and biological evaluation of [4.3.0] bicyclic prolyl oligopeptidase and fibroblast activation protein-α dual inhibitors.
    ChemRxiv - preprint, 2021 (version 1.0) link
    Modulating the Selectivity of inhibitors for prolyl oligopeptidase and fibroblast activation protein-α for different indications.
    Eur. J. Med. Chem., 2022, 114543. link

  3. Sharon, I.; Pinus, S.; Grogg, M.; Moitessier, N.; Schmeing, M. T.
    A Cryptic Third Active Site in Cyanophycin Synthetase Creates Primers for Polymerization.
    Nature Communications 2022, 3923. link

  4. Labarre, A.; Stille, J. K.; Burai Patrascu, M.; Pottel, J.; Moitessier, N.
    Docking Ligands into Flexible and Solvated Macromolecules. 8. Forming New Bonds – Challenges and Opportunities.
    Journal of Chemical Information and Modeling 2022, 62, 1061-1077. link
    ChemRXiv - preprint, 2021 link

  5. Bijian, K.; Wernic, D.; Nivedha, A. K.; Su, J.; Lim, F. P. L.; Miron, C. E.; Amzil, H.; Moitessier, N.; Alaoui-Jamali, M. A.
    Novel Aurora A and Protein Kinase C (α, β1, β2, Ɵ) Multi-target Inhibitors: Impact of Selenium Atoms on the Potency and Selectivity.
    Journal of Medicinal Chemistry 2022, 65, 3134-3150. link

  6. Stille, J. K.; Tjutrins, J.; Wang, G.; Venegas, F.A.; Hennecker, C.; Rueda, A.M.; Sharon, I.; Miron, C.E.; Pinus, S.; Labarre, A.; Plescia, J.; Burai Patrascu, M.; Zhang, X.; Wahba, A. S.; Vlaho, D.; Huot, M.; Schmeing, M.; Mittermaier, A.K.; Moitessier, N.
    Design, Synthesis and Biological Evaluation of Novel SARS-CoV-2 3CLpro Covalent Inhibitors.
    European Journal of Medicinal Chemistry, 2022, 114046 link
    ChemRxiv - preprint, 2020 (version 1.0)link
    ChemRxiv - preprint, 2021 (version 2.0) link
    ChemRxiv - preprint, 2021 (version 3.0) link

  7. 2021 - 2 publications
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  8. Uggowitzer, K. A.; Habibi, Y; Wei, W.; Moitessier, N.; Thibodeaux, C. J.
    Correlating Structural and Functional Properties of the Class II Lanthipeptide Synthetase, HalM2.
    Biochemistry, 2021, 60, 412-430 link

  9. Ross, J.; Miron, C. E.; Plescia, J.; Laplante, P.; McBride, K.; Moitessier, N.; Moroy, T.
    Targeting MYC: From understanding its biology to drug discovery.
    European Journal of Medicinal Chemistry, 2021, 213, 113137 link

  10. 2020 - 7 publications
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  11. Wang, Y.; Wang, G.; Moitessier, N.; Mittermaier, A.K.
    Enzyme Kinetics by Isothermal Titration Calorimetry: Allostery, Inhibition, and Dynamics.
    Frontiers in Molecular Biosciences, 2020, 7, 583826 link

  12. Wei W.; Champion C.; Barigye, S.; Liu, Z.; Labute, P.; Moitessier, N.
    Use of Extended-Hückel Descriptors for Rapid and Accurate Predictions of Conjugated Torsional Energy Barriers.
    Journal of Chemical Information and Modeling 2020, 7, 3534–3545. link

  13. Plescia, J.; Moitessier, N.
    Design and discovery of boronic acid drugs.
    European Journal of Medicinal Chemistry 2020, 112270. link

  14. Plescia, J.; Dufresne, C.; Janmamode, N.; Wahba, A. S.; Mittermaier, A. K.; Moitessier, N.
    Discovery of covalent prolyl oligopeptidase boronic ester inhibitors.
    European Journal of Medicinal Chemistry 2020, 185, 111783. link

  15. Burai Patrascu, M., Pottel, J., Pinus, S., Bezanson, M., Norrby, P-O., Moitessier, N.
    From desktop to benchtop with automated computational workflows for computer-aided design in asymmetric catalysis.
    Nature Catalysis 2020, 3, 574–584. link
    ChemRxiv - preprint 2019 (version 2.0)link
    ChemRxiv - preprint 2019 (version 1.0)link

  16. Oliver, C. G.; Mallet, V.; Sarrazin Gendron, R.; Reinharz, V.; Hamilton, W.L.; Moitessier, N.; Waldispühl, J.
    Augmented base pairing networks encode RNA-small molecule binding preferences.
    Nucleic Acids Research 2020, 14, 7690–7699. link
    BioRXiv - preprint 2019 (version 1.0) link

  17. 2019 - 8 publications
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  18. Burai Patrascu, M.; Plescia, J.; Kalgutkar, A.; Mascitti. V.; Moitessier, N.
    Computational methods for prediction of drug properties – Application to metabolism prediction.

    ARKIVOC (Special issue in honor of Prof. Hanessian) 2019, 280-298. link

  19. Plescia, J.; De Cesco, S.; Burai Patrascu, M.; Kurian, J.; Di Trani, J.; Dufresne, C.; Wahba, A. S.; Janmamode, N.; Mittermaier, A. K.; Moitessier, N.
    Integrated Synthetic, Biophysical, and Computational Investigations of Covalent Inhibitors of Prolyl Oligopeptidase and Fibroblast Activation Protein Alpha.
    Journal of Medicinal Chemistry 2019, 62, 7874-7884. link

  20. Mallet, V.; Oliver, C. G.; Moitessier, N. Waldispühl, J.
    Leveraging binding-site structure for drug discovery with point-cloud methods.
    arXiv 2019, preprint. link

  21. Carlos G.; Oliver, C. G.; Sarrazin Gendron, R.; Moitessier, N.; Waldispuhl, J.
    Automated, customizable and efficient identification of 3D base pair modules with Bayes Pairing.
    Nucleic Acids Research 2019, 47, 3321-3332. link

  22. Wei W.; Champion C.; Liu, Z.; Barigye, S.; Labute, P.; Moitessier, N.
    Torsional Energy Barriers of Biaryls could be Predicted by Electron-richness/deficiency of Aromatic Rings; Advancement of Molecular Mechanics towards Atom-Type Independence.
    Journal of Chemical Information and Modeling 2019, 59, 4764-4777. link

  23. Champion C., Barigye, S., Wei W., Liu, Z., Labute, P., Moitessier, N.
    Atom Type Independent Modeling of the Conformational Energy of Benzylic, Allylic, and other Bonds Adjacent to Conjugated Systems.
    Journal of Chemical Information and Modeling 2019, 59, 4750-4763. link

  24. Wei W.; Luo J.; Waldisphul J.; Moitessier, N.
    Predicting Positions of Bridging Water Molecules in Nucleic Acid-Ligand Complexes.
    Journal of Chemical Information and Modeling 2019, 59, 2941-2951. link

  25. Luo J.; Wei W.; Waldisphul J.; Moitessier, N.
    Challenges and current status of computational methods for docking small molecules to nucleic acids.
    European Journal of Medicinal Chemistry 2019, 168, 414-425 link

  26. 2018 - 6 publications
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  27. Di Trani, J. M.; Moitessier, N.; Mittermaier A. K.
    Complete Kinetic Characterization of Enzyme Inhibition in a Single Isothermal Titration Calorimetric Experiment.
    Analytical Chemistry 2018, 90, 8430-8435. link

  28. Di Trani, J. M.; De Cesco, S.; O’Leary, R.; Plescia, J.; Jorge do Nascimento, C.; Moitessier, N.; Mittermaier, A. K.
    Rapid Measurement of Inhibitor Binding Kinetics by Isothermal Titration Calorimetry.
    Nature Communications 2018, 9, 893. link

  29. Tomberg, A.; Kundu, S., Zhou, F., Li, C.-J., Moitessier, N.
    Revised Mechanism for a Ruthenium-Catalyzed Coupling of Aldehyde and Terminal Alkyne.
    ACS-Omega 2018, 3, 3218–3227. link

  30. Liu, Z.; Barigye, S.J.; Shahamat, M.; Labute, P.; Moitessier, N. Atom Types Independent Molecular Mechanics Method for Predicting the Conformational Energy of Small Molecules. Journal of Chemical Information And Modeling 2018, 58, 194–205. link

  31. O'Reilly, D.; Stein, R.; Burai Patrascu, M.; Jana, S.; Kurian, J.; Moitessier, N.; Damha, M. J.
    Exploring atypical fluorine‐hydrogen bonds and their effects on nucleoside conformations.
    Chemistry: A European Journal 2018, 24, 16432-16439. link

  32. Malek-Adamian, E.; Burai Patrascu, M.; Jana, S. K.; Martínez-Montero, S.; Moitessier, N.; Damha, M. J.
    Adjusting the Structure of 2′-Modified Nucleosides and Oligonucleotides via C4′-α-F or C4′-α-OMe Substitution: Synthesis and Conformational Analysis.
    Journal of Organic Chemistry 2018, 83, 9839-9849. link

  33. 2017 - 9 publications
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  34. Pottel, J.; Moitessier, N.
    Customizable Generation of Synthetically Accessible, Local Chemical Subspaces.
    Journal of Chemical Information and Modeling 2017, 57, 454–467. link

  35. Di Trani, J.; Moitessier, N.; Mittermaier, A.
    Measuring Rapid Time-scale Reaction Kinetics Using Isothermal Titration Calorimetry.
    Analytical Chemistry 2017, 89, 7022–7030. link

  36. McCracken, A. N.; McMonigle, R. J.; Tessier, J.; Fransson, R.; Perryman, M. S.; Chen, B.; Keebaugh, A.; Selwan, E.; Barr, S. A.; Kim, S. M.; Roy, S. G.; Liu, G.; Fallegger, D.; Sernissi, L.; Brandt, C.; Moitessier, N.; Snider, A. J.; Clare, S.; Muschen, M.; Huwiler, A.; Kleinman, M. T.; Hanessian, S.; Edinger, A. L.
    Phosphorylation of a constrained azacyclic FTY720 analog enhances anti-leukemic activity without inducing S1P receptor activation.
    Leukemia 2017, 31, 669–677. link

  37. Schiavini, P.; Cheong K.J.; Moitessier N.; Auclair K.
    Active site crowding of P450 3A4 as a strategy to alter its selectivity.

    ChemBioChem 2017, 18, 248–252. link

  38. Malek-Adamian E., Guenther D., Matsuda S., Martínez-Montero S., Zlatev I., Harp J., Burai Patrascu, M., Foster D. J., Fakhoury J. J., Perkins P., Moitessier N., Manoharan R., Taneja N., Bisbe A., Charisse K., Maier M. A., Rajeev K. G., Egli M., Manoharan M., Damha M. J.
    4′-C-Methoxy-2′-Deoxy-2′-Fluoro Modified Ribonucleotides Improve Metabolic Stability and Elicit Efficient RNAi-Mediated Gene Silencing.
    Journal of the American Chemical Society 2017, 139, 14542–14555. link

  39. Burai Patrascu, M., Malek-Adamian E., Damha M. J., Moitessier N. Accurately Modeling the Conformational Preferences of Nucleosides. Journal of the American Chemical Society 2017, 139, 13620–13623. link

  40. De Cesco S., Kurian J., Dufresne C., Mittermaier A., Moitessier N.
    Covalent inhibitors design and discovery.
    European Journal of Medicinal Chemistry 2017, 138, 96-114. link

  41. Bezanson M., Tomberg, A., Moitessier N.
    Fluoride-mediated desulfonylative intramolecular cyclization to fused and bridged bicyclic compounds: A complex mechanism.

    Journal of Organic Chemistry 2017, 82, 2579–2588. link

  42. Rocheleau, S., Pottel, J., Huskic, I., Moitessier N.
    Highly Regioselective Monoacylation of Unprotected Glucopyranoside using Transient Directing-Protecting Groups.

    European Journal of Organic Chemistry 2017, 646–656. link

  43. 2016 - 6 publications
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  44. Mariaule G., De Cesco S., Airaghi F., Kurian J., Schiavini P., Rocheleau S., Huskić I., Auclair K., Mittermaier A., Moitessier N.
    3-Oxo-hexahydro-1H-isoindole-4-carboxylic acid as a Drug Chiral Bicyclic Scaffold: Structure-based Design and Preparation of Conformationally Constrained Covalent and Non-Covalent Prolyl Oligopeptidase Inhibitors.
    Journal of Medicinal Chemistry 2016, 59, 4221–4234. link

  45. Bushuyev O. S., Tomberg A., Vinden J., Moitessier N., Barrett C.J., Friščić T.
    Azo···phenyl stacking: a persistent self-assembly motif guides the assembly of fluorinated cis-azobenzenes into photo-mechanical needle crystals.
    Chemical Communications 2016, 52, 2103-2106. link

  46. Liu Z., Pottel J., Shahamat M., Tomberg A., Labute P., Moitessier N.
    Elucidating hyperconjugation from electronegativity to predict drug conformational energy in a high throughput manner.

    Journal of Chemical Information and Modeling 2016, 56, 788–801. link

  47. Moitessier N., Pottel J., Therrien E., Englebienne P., Liu Z., Tomberg A., Corbeil C.R.
    Medicinal Chemistry Projects Requiring Imaginative Structure-Based Drug Design Methods.

    Accounts of Chemical Research 2016, 49, 1646–1657. link

  48. Pottel J., Moitessier N.
    Efficient Transition State Modeling Using Molecular Mechanics Force Fields for the Everyday Chemist.
    In Reviews in Computational Chemistry, A. Parrill and K.B. Lipkowitz, Eds., Wiley, New York, 2016; Vol. 29; pp 152-185. link

  49. Lawandi J., Rocheleau S., Moitessier N.
    Regioselective acylation, alkylation, silylation and glycosylation of monosaccharides.
    Tetrahedron 2016, 72, 6283-6319. link

  50. 2015 - 6 publications
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  51. Schiavini P., Pottel J., Moitessier N., Auclair K.
    Metabolic Instability of Cyanothiazolidine-Based Prolyl Oligopeptidase Inhibitors: a Structural Assignment Challenge and Potential Medicinal Chemistry Implications.
    ChemMedChem 2015, 10, 1174-1183. link

  52. Mendoza-Sancheza R., Cotnoir-Whiteb D., Kulpab J., Jutrasb I., Pottel J., Moitessier N., Maderb S., Gleason J.L.
    Design, Synthesis and Evaluation of Antiestrogen and Histone Deacetylase Inhibitor Molecular Hybrids.
    Bioorganic & Medicinal Chemistry 2015, 23, 7597–7606. link

  53. Tomberg A., Pottel J., Liu Z., Labute P., Moitessier N.
    Understanding P450-mediated Bio-transformations into Epoxide and Phenolic Metabolites.
    Angewandte Chemie International Edition 2015,54, 13743–13747. link

  54. Pottel J., Moitessier N.
    Single-Point Mutation with a Rotamer Library Toolkit: Toward Protein Engineering.
    Journal of Chemical Information and Modeling 2015, 55, 2657–2671. link

  55. Schiavini P., Dawe B., Bowie D., Moitessier N.
    Discovery of novel small-molecule antagonists for GluK2.
    Bioorganic & Medicinal Chemistry Letters 2015, 25, 2416-2420. link

  56. Tomberg A., De Cesco S., Huot M., Moitessier N.
    Solvent effect in diastereoselective intramolecular Diels–Alder reactions.
    Tetrahedron Letters 2015, 56, 6852–6856. link

  57. 2014 - 4 publications
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  58. Therrien, E., Weill N., Tomberg A., Corbeil C.R., Lee, D., Moitessier N.
    Docking Ligands into Flexible and Solvated Macromolecules. 7. Impact of Protein Flexibility and Water Molecules on Docking-based Virtual Screening Accuracy.
    Journal of Chemical Information and Modeling 2014, 54, 3198–3210. link

  59. Pottel J., Therrien E., Gleason J.L., Moitessier N.
    Docking Ligands into Flexible and Solvated Macromolecules. 6. Development and Application to the Docking of HDACs and other Zinc Metalloenzymes Inhibitors.
    Journal of Chemical Information and Modeling 2014, 54, 254-265. link

  60. Campagna-Slater V., Therrien E., Weill N., Moitessier N.
    Methods for Docking Small Molecules to Macromolecules: A User's Perspective. 2. Applications.
    Current Pharmaceutical Design 2014, 20, 3360-3372. link

  61. Weill N., Therrien E., Campagna-Slater V., Moitessier N.
    Methods for Docking Small Molecules to Macromolecules: A User's Perspective. 1. The Theory.
    Current Pharmaceutical Design 2014, 20, 3338-3359. link

  62. 2013 - 2 publications
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  63. Castor, K. J., Liu, Z., Fakhoury, J., Hancock, M. A., Mittermaier, A., Moitessier, N. and Sleiman, H. F.
    A Platinum(II) Phenylphenanthroimidazole with an Extended Side-Chain Exhibits Slow Dissociation from a c-Kit G-Quadruplex Motif.
    Chemistry - A European Journal 2013, 52, 17836–17845. link

  64. Bezanson, M., Pottel, J., Bilbeisi, R., Toumieux, S., Cueto, M., Moitessier, N.
    Stereo- and Regioselective Synthesis of Polysubstituted Chiral 1,4-Oxazepanes
    Journal of Organic Chemistry 2013, 78, 872–885. link

  65. 2012 - 4 publications
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  66. De Cesco S., Deslandes S., Therrien E., Levan D., Cueto M., Schmidt R., Cantin L.-D., Mittermaier A., Juillerat-Jeanneret L., Moitessier N.
    Virtual screening and computational optimization for the discovery of covalent prolyl oligopeptidase inhibitors with activity in human cells.
    Journal of Medicinal Chemistry 2012, 55, 6306-6315. link

  67. Castor K.J., Mancini J., Fakhoury J., Weill N., Kieltyka R., Englebienne P., Avakyan N., Mittermaier A., Autexier C., Moitessier N., Sleiman H.F.
    Platinum(II) phenanthroimidazoles for targeting telomeric G-quadruplexes.
    ChemMedChem2012, 7, 85-94 link

  68. Campagna-Slater V., Pottel J., Therrien E., Cantin L.-D., Moitessier N.
    Development of a computational tool to rival experts in the prediction of sites of metabolism of xenobiotics by P450s.
    Journal of Chemical Information and Modeling 2012, 52, 2471-2483 link

  69. Therrien E., Englebienne P., Arrowsmith A.G., Mendoza-Sanchez R., Corbeil C.R., Weill N., Campagna-Slater V., Moitessier N.
    Integrating medicinal chemistry, organic/combinatorial chemistry, and computational chemistry for the discovery of selective estrogen receptor modulatorswith FORECASTER, a novel platform for drug discovery.
    Journal of Chemical Information and Modeling 2012, 52, 210-224. link

  70. 2011 - 2 publications
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  71. Weill N., Corbeil C.R., De Schutter J.W., Moitessier N.
    Toward a computational tool predicting the stereochemical outcome of asymmetric reactions: Development of the molecular mechanics-based program ACE and application to asymmetric epoxidation reactions.
    Journal of Computational Chemistry 2011, 32, 2878-2889. link

  72. Lawandi J., Rocheleau S., Moitessier N.
    Directing/protecting groups mediate highly regioselective glycosylation of monoprotected acceptors.
    Tetrahedron 2011, 67, 8411-8420 link

  73. 2010 - 5 publications
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  74. Lamblin M., Spingarn R., Wang T.-T., Burger M.C., Dabbas B., Moitessier N., White J.H., Gleason J.L.
    An o-aminoanilide analogue of 1α,25-dihydroxyvitamin D-3 functions as a strong vitamin D receptor antagonist.
    Journal of Medicinal Chemistry 2010, 53, 7461-7465. link

  75. Lawandi J., Gerber-Lemaire S., Juillerat-Jeanneret L., Moitessier N.
    Inhibitors of prolyl oligopeptidases for the therapy of human diseases: Defining diseases and inhibitors.
    Journal of Medicinal Chemistry 2010, 53, 3423-3438. link

  76. Corbeil C.R., Moitessier N.
    Theory and application of medium to high throughput prediction method techniques for asymmetric catalyst design.
    Journal of Molecular Catalysis A: Chemical 2010, 324, 146-155. link

  77. Kieltyka R., Englebienne P., Moitessier N., Sleiman H.
    Quantifying interactions between G-quadruplex DNA and transition-metal complexes.
    Methods in molecular biology (Clifton 2010, N.J.), 608, 223-255. link

  78. Huot M., Moitessier N., Expedient synthesis of novel bicyclic peptidomimetic scaffolds.
    Tetrahedron Letters 2010, 51, 2820-2823 link

  79. 2009 - 6 publications
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  80. Lawandi J., Toumieux S., Seyer V., Campbell P., Thielges S., Juillerat-Jeanneret L., Moitessier N.
    Constrained peptidomimetics reveal detailed geometric requirements of covalent prolyl oligopeptidase inhibitors
    Journal of Medicinal Chemistry 2009, 52, 6672-6684. link

  81. Englebienne P., Moitessier N.
    Docking ligands into flexible and solvated macromolecules. 5. Force-field-based prediction of binding affinities of ligands to proteins.
    Journal of Chemical Information and Modeling 2009, 49, 2564-2571. link

  82. Englebienne P., Moitessier N.
    Docking ligands into flexible and solvated macromolecules. 4. Are popular scoring functions accurate for this class of proteins?
    Journal of Chemical Information and Modeling 2009, 49, 1568-1580. link

  83. Fay A.-M.L., Corbeil C.R., Brown P., Moitessier N., Bowie D.
    Functional characterization and in silico docking of full and partial GluK2 kainate receptor agonists.
    Molecular Pharmacology 2009, 75, 1096-1107. link

  84. Corbeil C.R., Moitessier N.
    Docking ligands into flexible and solvated macromolecules. 3. Impact of input ligand conformation, protein flexibility, and water molecules on the accuracy of docking programs.
    Journal of Chemical Information and Modeling 2009, 49, 997-1009. link

  85. Corbeil C.R., Therrien E., Moitessier N.
    Modeling reality for optimal docking of small molecules to biological targets.
    Current Computer-Aided Drug Design 2009, 5, 241-263. link

  86. 2008 - 6 publications
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  87. Corbeil C.R., Thielges S., Schwartzentruber J.A., Moitessier N.
    Toward a computational tool predicting the stereochemical outcome of asymmetric reactions: Development and application of a rapid and accurate program based on organic principles.
    Angewandte Chemie - International Edition 2008, 47, 2635-2638. link

  88. Kieltyka R., Englebienne P., Fakhoury J., Autexier C., Moitessier N., Sleiman H.F.
    A platinum supramolecular square as an effective G-quadruplex binder and telomerase inhibitor.
    Journal of the American Chemical Society 2008, 130, 10040-10041. link

  89. Kieltyka R., Fakhoury J., Moitessier N., Sleiman H.F.
    Platinum phenanthroimidazole complexes as G-quadruplex DNA selective binders.
    Chemistry - A European Journal 2008, 14, 1145-1154. link

  90. Corbeil C.R., Englebienne P., Yannopoulos C.G., Chan L., Das S.K., Bilimoria D., L'Heureux L., Moitessier N.
    Docking ligands into flexible and solvated macromolecules. 2. Development and application of FITTED 1.5 to the virtual screening of potential HCV polymerase inhibitors.
    Journal of Chemical Information and Modeling 2008, 48, 902-909. link

  91. Hamm S., Just G., Lacoste N., Moitessier N., Szyf M., Mamer O.
    On the mechanism of demethylation of 5-methylcytosine in DNA.
    Bioorganic and Medicinal Chemistry Letters 2008, 18, 1046-1049. link

  92. Moitessier N., Englebienne P., Lee D., Lawandi J., Corbeil C.R.
    Towards the development of universal, fast and highly accurate docking/scoring methods: A long way to go.
    British Journal of Pharmacology 2008, 153, SUPPL. 1, S7-S26. link

  93. 2007 - 2 publications
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  94. Corbeil C.R., Englebienne P., Moitessier N.
    Docking ligands into flexible and solvated macromolecules. 1. Development and validation of FITTED 1.0.
    Journal of Chemical Information and Modeling 2007, 47, 435-449. link

  95. Englebienne P., Fiaux H., Kuntz D.A., Corbeil C.R., Gerber-Lemaire S., Rose D.R., Moitessier N.
    Evaluation of docking programs for predicting binding of Golgi α-mannosidase II inhibitors: A comparison with crystallography.
    Proteins: Structure,Function and Genetics 2007, 69, 160-176. link

  96. 2006 - 4 publications
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  97. Moitessier N., Therrien E., Hanessian S.
    A method for induced-fit docking, scoring, and ranking of flexible ligands. Application to peptidic and pseudopeptidic β-secretase (BACE 1) inhibitors.
    Journal of Medicinal Chemistry 2006, 49, 5885-5894. link

  98. Moitessier N., Westhof E., Hanessian S.
    Docking of aminoglycosides to hydrated and flexible RNA.
    Journal of Medicinal Chemistry 2006, 49, 1023-1033. link

  99. Compain P., Desvergnes V., Ollivier C., Robert F., Suzenet F., Barboiu M., Belmont P., Bleriot Y., Bolze F., Bouquillon S., Bourguet E., Braida B., Constantieux T., Desaubry L., Dupont D., Gastaldi S., Jerome F., Legoupy S., Marat X., Migaud M., Moitessier N., Papot S., Peri F., Petit M., Py S., Schulz E., Tranoy-Opalinski I., Vauzeilles B., Vayron P., Vergnes L., Vidal S., Wilmouth S.
    Future achemy: Account of the ESYOP experiment [Alchimies futures: Compte rendu de l'expérience ESYOP].
    Comptes Rendus Chimie 2006, 9, SPEC. ISS., 127-140. link

  100. Compain P., Desvergnes V., Ollivier C., Robert F., Suzenet F., Barboiu M., Belmont P., Bleriot Y., Bolze F., Bouquillon S., Bourguet E., Braida B., Constantieux T., Desaubry L., Dupont D., Gastaldi S., Jerome F., Legoupy S., Marat X., Migaud M., Moitessier N., Papot S., Peri F., Petit M., Py S., Schulz E., Tranoy-Opalinski I., Vauzeilles B., Vayron P., Vergnes L., Vidal S., Wilmouth S.
    Looking forward: A glance into the future of organic chemistry.
    New Journal of Chemistry 2006, 30, 823-831. link

  101. 1995 - 2005 - 25 publications
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  102. Moitessier N., Henry C., Aubert N., Chapleur Y.
    Orthogonally protected carbohydrate-based scaffolds.
    Tetrahedron Letters 2005, 46, 6191-6194. link

  103. Hanessian S., Yun H., Hou Y., Yang G., Bayrakdarian M., Therrien E., Moitessier N., Roggo S., Veenstra S., Tintelnot-Blomley M., Rondeau J.-M., Ostermeier C., Strauss A., Ramage P., Paganetti P., Neumann U., Betschart C.
    Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics.
    Journal of Medicinal Chemistry 2005, 48, 5175-5190. link

  104. Moitessier N., Englebienne P., Chapleur Y.
    Directing-protecting groups for carbohydrates. Design, conformational study, synthesis and application to regioselective functionalization.
    Tetrahedron 2005, 61, 6839-6853. link

  105. Hanessian S., Moitessier N.
    Sulfonamide-based acyclic and conformationally constrained MMP inhibitors: From computer-assisted design to nanomolar compounds.
    Current Topics in Medicinal Chemistry 2004, 4, 1269-1287. link

  106. Moitessier N., Henry C., Maigret B., Chapleur Y.
    Combining pharmacophore search, automated docking, and molecular dynamics simulations as a novel strategy for flexible docking. Proof of concept: Docking of arginine-glycine-aspartic acid-like compounds into the α vβ3 binding site.
    Journal of Medicinal Chemistry 2004, 47, 4178-4187. link

  107. Moitessier N., Henry C., Len C., Postel D., Chapleur Y.
    On the origin of the facial selectivity of the Sharpless asymmetric dihydroxylation of styrene derivatives.
    Journal of Carbohydrate Chemistry 2003, 22, 25-34. link

  108. Moitessier N., Chapleur Y.
    Modulation of the relative reactivities of carbohydrate secondary hydroxyl groups. Modification of the hydrogen bond network.
    Tetrahedron Letters 2003, 44, 1731-1735. link

  109. Henry C., Moitessier N., Chapleur Y.
    Vitronectin receptor alpha(V)beta(3) integrin antagonists: chemical and structural requirements for activity and selectivity.
    Mini reviews in medicinal chemistry 2002, 2, 531-542. link

  110. Moitessier N., Henry C., Len C., Chapleur Y.
    Toward a computational tool predicting the stereochemical outcome of asymmetric reactions. 1. Application to sharpless asymmetric dihydroxylation.
    Journal of Organic Chemistry 2002, 67, 7275-7282. link

  111. Pilard S., Riboul D., Glacon V., Moitessier N., Chapleur Y., Postel D., Len C.
    Asymmetric dihydroxylation of chiral styrene derivatives: Development of an analytical strategy for the determination of the diastereomeric excess.
    Tetrahedron Asymmetry 2002, 13, 529-537. link

  112. Roussel F., Moitessier N., Hilly M., Chretien F., Mauger J.-P., Chapleur Y.
    D-myo-Inositol-1,4,5-trisphosphate and adenophostin mimics: Importance of the spatial orientation of a phosphate group on the biological activity.
    Bioorganic and Medicinal Chemistry 2002, 10, 759-768. link

  113. Hanessian S., Moitessier N., Therrien E.
    A comparative docking study and the design of potentially selective MMP inhibitors.
    Journal of Computer-Aided Molecular Design 2001, 15, 873-881. link

  114. Hanessian S., MacKay D.B., Moitessier N.
    Design and synthesis of matrix metalloproteinase inhibitors guided by molecular modeling. Picking the S-1 pocket using conformationally constrained inhibitors.
    Journal of Medicinal Chemistry 2001, 44, 3074-3082. link

  115. Hanessian S., Moitessier N., Gauchet C., Viau M.
    N-aryl sulfonyl homocysteine hydroxamate inhibitors of matrix metalloproteinases: Further probing of the S-1, S-1′, and S-2′ pockets.
    Journal of Medicinal Chemistry 2001, 44, 3066-3073. link

  116. Hanessian S., Moitessier N., Cantin L.-D.
    Design and synthesis of MMP inhibitors using N-arylsulfonylaziridine hydroxamic acids as constrained scaffolds.
    Tetrahedron 2001, 57, 6885-6900. link

  117. Hanessian S., Tremblay M., Kornienko A., Moitessier N.
    Design, modeling and synthesis of functionalized paromamine analogs.
    Tetrahedron 2001, 57, 3255-3265. link

  118. Moitessier N., Dufour S., Chretien F., Thiery J.P., Maigret B., Chapleur Y.
    Design, synthesis and preliminary biological evaluation of a focused combinatorial library of stereodiverse carbohydrate-scaffold-based peptidomimetics.
    Bioorganic and Medicinal Chemistry 2001, 9, 511-523. link

  119. Hanessian S., Moitessier N., Wilmouth S.
    Tetrahydrofuran as a scaffold for peptidomimetics. Application to the design and synthesis of conformationally constrained metalloproteinase inhibitors.
    Tetrahedron 2000, 56, 7643-7660. link

  120. Chretien F., Moitessier N., Roussel F., Mauger J.-P., Chapleur Y.
    Carbohydrate-based mimics of D-myo-inositol 1,4,5-trisphosphate
    Current Organic Chemistry 2000, 4, 513-534. link

  121. Moitessier N., Maigret B., Chretien F., Chapleur Y.
    Molecular dynamics-based models explain the unexpected diastereoselectivity of the sharpless asymmetric dihydroxylation of allyl D- xylosides.
    European Journal of Organic Chemistry 2000, 6, 995-1005. link

  122. Minoux H., Moitessier N., Chapleur Y., Maigret B.
    Elucidation of a common structure of selective fibrinogen receptor antagonists.
    Journal of Computer-Aided Molecular Design 1998, 12, 533-542. link

  123. Moitessier N., Minoux H., Maigret B., Chretien F., Chapleur Y.
    Synthesis of carbohydrate-based peptidomimetics as potential selective fibrinogen receptor antagonists.
    Letters in Peptide Science 1998, 5, 75-78. link

  124. Minoux H., Moitessier N., Chapleur Y., Maigret B.
    Design of specific antagonists of the fibrinogen receptor.
    International Journal of Peptide Research and Therapeutics 1997, 4, 463-466. link

  125. Moitessier N., Chretien F., Chapleur Y.
    Asymmetric dihydroxylation of D-xylose-derived allyl ethers.
    Tetrahedron Asymmetry 1997, 8, 2889-2892. link

  126. Moitessier N., Chretien F., Chapleur Y., Humeau C.
    Synthesis and biological activities of inositol 1,4,5-trisphosphate mimics related to xylopyranosides.
    Tetrahedron Letters 1995, 36, 8023-8026. link

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