An allosteric mechanism for potent inhibition of human ATP-citrate lyase

Wei Jia, Silvana Leit, Jun Kuai, +5

Nature

BiosynthesisBiochemistryAllosteric MechanismPharmacologyEnzymatic Modification +1

Synthesis of functionally diverse bicyclic sulfonamides as constrained proline analogues and application to the design of potential thrombin inhibitors

Stephen Hanessian, H. Sailes, Éric Therrien

Tetrahedron

Combinatorial ChemistryMedicinal ChemistryBiochemistryNatural SciencesMedicine +8

N-Benzyl-1-heteroaryl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamides as inhibitors of co-activator associated arginine methyltransferase 1 (CARM1)

Martin Allan, Sukhdev Manku, Éric Therrien, +11

Bioorganic & Medicinal Chemistry Letters

BiochemistryMedicineMechanism Of ActionArginine Methyltransferase 1Drug Development +3

Medicinal Chemistry Projects Requiring Imaginative Structure-Based Drug Design Methods

Nicolas Moitessier, Joshua Pottel, Éric Therrien, +4

Accounts of Chemical Research

Drug TargetChemical BiologyCytochrome P450 EnzymesMedicinal ChemistryDrug Design +16

Structure-Based Design, Synthesis, and Memapsin 2 (BACE) Inhibitory Activity of Carbocyclic and Heterocyclic Peptidomimetics

Stephen Hanessian, Hongying Yun, Yihua Hou, +14

Journal of Medicinal Chemistry

Combinatorial ChemistryMedicinal ChemistryBiochemistryNatural SciencesMedicine +11

A Method for Induced-Fit Docking, Scoring, and Ranking of Flexible Ligands. Application to Peptidic and Pseudopeptidic β-secretase (BACE 1) Inhibitors

Nicolas Moitessier, Éric Therrien, Stephen Hanessian

Journal of Medicinal Chemistry

Development of a Computational Tool to Rival Experts in the Prediction of Sites of Metabolism of Xenobiotics by P450s

Valérie Campágna‐Slater, Joshua Pottel, Éric Therrien, +2

Journal of Chemical Information and Modeling

Computational ToolChemical BiologyMetabolic ModelObserved SomTransition States +18

Synthesis of Diversely Functionalized Indolizidinones and Related Bicyclic Lactams Using Intramolecular Grubbs Olefin Metathesis and Dieckmann Condensation

Stephen Hanessian, H. Sailes, Alexander Munro, +1

The Journal of Organic Chemistry

Combinatorial ChemistryBioorganic ChemistryOrganic ChemistryHeterocycle ChemistryCarbocyclization Products +16

Integrating Medicinal Chemistry, Organic/Combinatorial Chemistry, and Computational Chemistry for the Discovery of Selective Estrogen Receptor Modulators with F<scp>orecaster</scp>, a Novel Platform for Drug Discovery

Éric Therrien, Pablo Englebienne, Andrew G. Arrowsmith, +5

Journal of Chemical Information and Modeling

Combinatorial ChemistryDrug TargetEngineeringEstrogen ReceptorPharmaceutical Chemistry +16

Virtual Screening and Computational Optimization for the Discovery of Covalent Prolyl Oligopeptidase Inhibitors with Activity in Human Cells

Stéphane De Cesco, Sébastien Deslandes, Éric Therrien, +7

Journal of Medicinal Chemistry

Covalent InhibitorsDrug TargetPeptide ScienceChemical BiologyMolecular Pharmacology +17