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Journal of Medicinal Chemistry

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  1. Polyacrylate-Based Delivery System for Self-adjuvanting Anticancer Peptide Vaccine.

    Journal of Medicinal Chemistry 58(2):888 (2015) PMID 25489968

    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...
  2. Comprehensive analysis of three-dimensional activity cliffs formed by kinase inhibitors with different binding modes and cliff mapping of st...

    Journal of Medicinal Chemistry 58(1):252 (2015) PMID 25054653

    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...
  3. Synthesis and structure-activity relationship studies of novel dual inhibitors of soluble epoxide hydrolase and 5-lipoxygenase.

    Journal of Medicinal Chemistry 56(4):1777 (2013) PMID 23356879

    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...
  4. Correction to Development of Indole Compounds as Small Molecule Fusion Inhibitors Targeting HIV-1 Glycoprotein-41.

    Journal of Medicinal Chemistry 54(24):8713 (2011) PMID 22122312

  5. Corrections to Heat Shock Protein 90: Inhibitors in Clinical Trials.

    Journal of Medicinal Chemistry (2010) PMID 20146424

  6. Annual Review of Biochemistry. Volume 78 Annual Review of Biochemistry. Volume 78 . Edited by Roger D. Kornberg , Christian R. H. Raetz , Ja...

    Journal of Medicinal Chemistry (2009) PMID 19938859

  7. Corrections to Multidentate Small-Molecule Inhibitors of Vaccinia H1-Related (VHR) Phosphatase Decrease Proliferation of Cervix Cancer Cells...

    Journal of Medicinal Chemistry (2009) PMID 19904931

  8. Book Review of Chemoinformatics Approaches to Virtual Screening Chemoinformatics Approaches to Virtual Screening . Edited by Alexander Varne...

    Journal of Medicinal Chemistry 52(10):3428 (2009)

  9. Modeling Binding Modes of α7 Nicotinic Acetylcholine Receptor with Ligands: The Roles of Gln117 and Other Residues of the Receptor in Agonis...

    Journal of Medicinal Chemistry 52(3):890 (2009)

  10. Current compound coverage of the kinome.

    Journal of Medicinal Chemistry 58(1):30 (2015) PMID 25051177

    I inhibitors. By contrast, type II inhibitors are rare but usually have high potency. Kinase inhibitors generally display high scaffold diversity. Activity cliffs with an at least 100-fold difference in potency are only found for inhibitors of 106 kinases, which is partly due to only small numbers o...