193 results on '"Beno, Brett R."'
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2. Atropisomerism Observed in Galactose-Based Monosaccharide Inhibitors of Galectin‑3 Comprising 2‑Methyl-4-phenyl-2,4-dihydro‑3H‑1,2,4-triazole-3-thione.
3. Hydrogen-Deuterium Exchange and Hydroxyl Radical Footprinting for Mapping Hydrophobic Interactions of Human Bromodomain with a Small Molecule Inhibitor
4. Discovery and Exploration of Monosaccharide Linked Dimers of Galectin-3 Inhibitors to Target Fibrosis
5. An Antibody exo Diels-Alderase Inhibitor Complex at 1.95 Angstrom Resolution
6. C-3 benzoic acid derivatives of C-3 deoxybetulinic acid and deoxybetulin as HIV-1 maturation inhibitors
7. Ligand-induced changes in hepatitis C virus NS5B polymerase structure
8. Design and exploration of C-3 benzoic acid bioisosteres and alkyl replacements in the context of GSK3532795 (BMS-955176) that exhibit broad spectrum HIV-1 maturation inhibition
9. Synthesis, Structure–Activity Relationships, and In Vivo Evaluation of Novel Tetrahydropyran-Based Thiodisaccharide Mimics as Galectin-3 Inhibitors
10. An Integrated Approach for Determining a Protein-Protein Binding Interface in Solution and an Evaluation of HDX Kinetics for Adjudicating Candidate Docking Models
11. Methods for Combinatorial and Parallel Library Design
12. Transition structures and exo/endo stereoselectivities of concerted [6 + 4] cycloadditions with density functional theory
13. Epitope and Paratope Mapping of PD-1/Nivolumab by Mass Spectrometry-Based Hydrogen–Deuterium Exchange, Cross-linking, and Molecular Docking
14. An Integrated Approach for Determining a Protein–Protein Binding Interface in Solution and an Evaluation of Hydrogen–Deuterium Exchange Kinetics for Adjudicating Candidate Docking Models
15. Resistance profile of the HIV-1 maturation inhibitor GSK3532795 in vitro and in a clinical study
16. A Becke3LYP/6-31G study of the Cope rearrangements of substituted 1,5-hexadienes provides computational evidence for a chameleonic transition state
17. Unexpected complexity in the thermal [pi2+sigma2+sigma2] cycloaddition reactions of quadricyclane: theory and isotope effects
18. (5,5) sigmatropic rearrangement. DFT prediction of a diradical mechanism for a Woodward-Hoffmann 'allowed' thermal pericyclic reactions
19. Approaches to Target Class Combinatorial Library Design
20. Why is the concerted (2+2) mechanism of the reactions of SO3 with alkenes favored over the (3+2) mechanism? Density functional and correlated ab initio calculations and a frontier MO analysis
21. Experimental determination of the activation parameters and stereoselectives of the intramolecular Diels-Alder reactions of 1,3,8-nonatriene, 1,3,9-decatriene, and 1,3,10-undecatriene and transition state modeling with the Monte Carlo-jumping between wells/molecular dynamics method
22. Structure–Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors
23. Discovery and initial optimization of alkoxyanthranilic acid derivatives as inhibitors of HCV NS5B polymerase
24. The design of combinatorial libraries using properties and 3D pharmacophore fingerprints
25. Library design using BCUT chemistry-space descriptors and multiple four-point pharmacophore fingerprints: simultaneous optimization and structure-based diversity
26. Synthesis and SAR of calcitonin gene-related peptide (CGRP) antagonists containing substituted aryl-piperazines and piperidines
27. Design, Synthesis, and SAR of C-3 Benzoic Acid, C-17 Triterpenoid Derivatives. Identification of the HIV-1 Maturation Inhibitor 4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-((2-(1,1-Dioxidothiomorpholino)ethyl)amino)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoic Acid (GSK3532795, BMS-955176)
28. Isotope effects for Lewis acid catalyzed Diels-Alder reactions. The experimental transition state
29. Orthogonal Mass Spectrometry-Based Footprinting for Epitope Mapping and Structural Characterization: The IL-6 Receptor upon Binding of Protein Therapeutics
30. Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies
31. The discovery of a pan-genotypic, primer grip inhibitor of HCV NS5B polymerase
32. A Small Molecule Inhibitor Selectively Induces Apoptosis in Cells Transformed by High Risk Human Papilloma Viruses
33. Discovery of BMS-955176, a Second Generation HIV-1 Maturation Inhibitor with Broad Spectrum Antiviral Activity
34. Synthesis and SAR studies of novel heteroaryl fused tetracyclic indole-diamide compounds: Potent allosteric inhibitors of the hepatitis C virus NS5B polymerase
35. Discovery of D1 Dopamine Receptor Positive Allosteric Modulators: Characterization of Pharmacology and Identification of Residues that Regulate Species Selectivity
36. A Survey of the Role of Noncovalent Sulfur Interactions in Drug Design
37. The Synthesis and evaluation of a novel class of ( E)-3-(1-cyclohexyl-1 H-pyrazol-3-yl)-2-methylacrylic acid Hepatitis C virus polymerase NS5B inhibitors
38. Syntheses and initial evaluation of a series of indolo-fused heterocyclic inhibitors of the polymerase enzyme (NS5B) of the hepatitis C virus
39. SAR studies on a series of N-benzyl-4-heteroaryl-1-(phenylsulfonyl)piperazine-2-carboxamides: Potent inhibitors of the polymerase enzyme (NS5B) of the hepatitis C virus
40. Investigation of the mode of binding of a novel series of N-benzyl-4-heteroaryl-1-(phenylsulfonyl)piperazine-2-carboxamides to the hepatitis C virus polymerase
41. Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies.
42. Discovery and Preclinical Characterization of the Cyclopropylindolobenzazepine BMS-791325, A Potent Allosteric Inhibitor of the Hepatitis C Virus NS5B Polymerase
43. Synchronous or asynchronous? An 'experimental' transition state from a direct comparison of experimental and theoretical kinetic isotope effects for a Diels-Alder reaction
44. Photochemistry of ketones adsorbed on size/shape selective zeolites. A supramolecular approach to persistent carbon centered radicals
45. High-Throughput Screening and Rapid Inhibitor Triage Using an Infectious Chimeric Hepatitis C Virus
46. Small Molecule Receptor Protein Tyrosine Phosphatase γ (RPTPγ) Ligands That Inhibit Phosphatase Activity via Perturbation of the Tryptophan–Proline–Aspartate (WPD) Loop
47. Corrigendum to “Investigation of the mode of binding of a novel series of N-benzyl-4-heteroaryl-1-(phenylsulfonyl)piperazine-2-carboxamides to the hepatitis C virus polymerase” [Bioorg. Med. Chem. Lett. 21 (2011) 2212]
48. The Synthesis and evaluation of a novel class of (E)-3-(1-cyclohexyl-1H-pyrazol-3-yl)-2-methylacrylic acid Hepatitis C virus polymerase NS5B inhibitors
49. Conformationally Restricted Homotryptamines. Part 7: 3-cis-(3-Aminocyclopentyl)indoles As Potent Selective Serotonin Reuptake Inhibitors
50. MORPH: A New Tool for Ligand Design
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