Journal of Medicinal Chemistry
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Polyacrylate-Based Delivery System for Self-adjuvanting Anticancer Peptide Vaccine.
We developed new polymer-peptide conjugates to create an efficient self-adjuvanting system for peptide-based therapeutic vaccines. These conjugates reduced tumor growth and eradicated E7-positive TC-1 tumors in mice after a "single shot" immunization, without the help from an external adjuvant. The...
Comprehensive analysis of three-dimensional activity cliffs formed by kinase inhibitors with different binding modes and cliff mapping of st...
We have identified all three-dimensional activity cliffs (3D-cliffs) formed by kinase inhibitors. More than 1300 X-ray structures of unique kinase-inhibitor complexes and associated activity data were analyzed. On the basis of binding mode comparison and 3D similarity calculations, 105 3D-cliffs wer...
Discovery and optimization of 4,5-diarylisoxazoles as potent dual inhibitors of pyruvate dehydrogenase kinase and heat shock protein 90.
We took advantage of the homology of the ATP-binding pocket between Heat Shock Protein 90 (HSP90) and PDHK, and utilized 4,5-diarylisoxazole based HSP90 inhibitor for structural design. Our efforts led to the identification of 5k that inhibited PDHK1 with an IC50 value of 17 nM, which, however, show...
Synthesis and structure-activity relationship studies of novel dual inhibitors of soluble epoxide hydrolase and 5-lipoxygenase.
We therefore designed and synthesized a library of hybrid molecules incorporating an imidazo[1,2-a]pyridine and an urea moiety as novel soluble epoxide hydrolase (sEH)/5-lipoxygenase (5-LO) dual inhibitors. Evaluation of the compounds was accomplished by in vitro testing using recombinant enzyme ass...
Correction to Development of Indole Compounds as Small Molecule Fusion Inhibitors Targeting HIV-1 Glycoprotein-41.
Corrections to Heat Shock Protein 90: Inhibitors in Clinical Trials.
Annual Review of Biochemistry. Volume 78 Annual Review of Biochemistry. Volume 78 . Edited by Roger D. Kornberg , Christian R. H. Raetz , Ja...
Corrections to Multidentate Small-Molecule Inhibitors of Vaccinia H1-Related (VHR) Phosphatase Decrease Proliferation of Cervix Cancer Cells...
Book Review of Chemoinformatics Approaches to Virtual Screening Chemoinformatics Approaches to Virtual Screening . Edited by Alexander Varne...
Modeling Binding Modes of α7 Nicotinic Acetylcholine Receptor with Ligands: The Roles of Gln117 and Other Residues of the Receptor in Agonis...