Chemical Biology & Drug Design

Cover image for Vol. 81 Issue 3

March 2013

Volume 81, Issue 3

Pages i–iii, 311–435

  1. Issue Information

    1. Top of page
    2. Issue Information
    3. Review
    4. Research Articles
    5. Research Letters
    1. Issue Information (pages i–iii)

      Article first published online: 13 FEB 2013 | DOI: 10.1111/cbdd.12025

  2. Review

    1. Top of page
    2. Issue Information
    3. Review
    4. Research Articles
    5. Research Letters
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      Metal-mediated Targeting in the Body (pages 311–322)

      Xuan Tang and Xiangyang Liang

      Article first published online: 13 FEB 2013 | DOI: 10.1111/cbdd.12090

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      Some synthetic and natural drugs need to be activated by metal ions as prodrugs. In this review, we provide a few examples to illustrate how metal ions activate and mediate drug targeting in the body.

  3. Research Articles

    1. Top of page
    2. Issue Information
    3. Review
    4. Research Articles
    5. Research Letters
    1. Biomolecular Interactions of Small-molecule Inhibitors Affecting the YopH Protein Tyrosine Phosphatase (pages 323–333)

      Megan Hogan, Medhanit Bahta, Scott Cherry, George T. Lountos, Joseph E. Tropea, Bryan M. Zhao, Terrence R. Burke Jr, David S. Waugh and Robert G. Ulrich

      Article first published online: 13 FEB 2013 | DOI: 10.1111/cbdd.12097

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      We have developed competitive and direct binding methods to examine small-molecule inhibitors of protein tyrosine phosphatase (PTPase) activity. Focusing on the Yersinia outer protein H (YopH), a potent bacterial PTPase, we describe how an understanding of the kinetic interactions involving YopH, peptide substrates, and small-molecule inhibitors of PTPase activity can be beneficial for inhibitor screening and we further translate these results into a microarray assay for high-throughput screening.

    2. Identification of Small Molecule Hes1 Modulators as Potential Anticancer Chemotherapeutics (pages 334–342)

      Vibhavari Sail and M. Kyle Hadden

      Article first published online: 13 FEB 2013 | DOI: 10.1111/cbdd.12059

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      Small molecules that activate and inhibit Hes1 expression are potential anti-cancer drugs. Two compounds that demonstrated this activity exhibited anti-cancer effects in colon and carcinoid cells.

    3. Investigation for the Interaction of Tyramine-Based Anthraquinone Analogue with Human Serum Albumin by Optical Spectroscopic Technique (pages 343–348)

      Swati Aggarwal, Anjani K. Tiwari, Pooja Srivastava, Nidhi Chadha, Vikas Kumar, Gurmeet Singh and Anil K. Mishra

      Article first published online: 26 DEC 2012 | DOI: 10.1111/cbdd.12073

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      Optical property of the synthesized anthraquinone molecule (Tyan) examined through photophysical studies and molecular modeling analysis. The binding constant for the Tyan-HSA system was determined using Stern-Volmer plot.

    4. Pharmacophore-Based Drug Design and Biological Evaluation of Novel ABCB1 Inhibitors (pages 349–358)

      Sheng-lie Zhang, Yin-xiang Wei, Qian Li, Hao-peng Sun, Hui Peng and Qi-dong You

      Article first published online: 26 DEC 2012 | DOI: 10.1111/cbdd.12081

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      A 3D pharmacophore model was created based on known ABCB1 inhibitors with correlation coefficient of 0.94, comprising three hydrophobic features and one hydrogen bond acceptor. It was further validated and used to search our in-house 3D database for potential ABCB1 inhibitors. Among hit compounds, YZ-3, YZ-16 were identified by biological assays as potential leads to be developed in the designing of novel potent ABCB1 inhibitors.

    5. Dynamic Change of Heme Environment in Soluble Guanylate Cyclase and Complexation of NO-Independent Drug Agents with H-NOX Domain (pages 359–381)

      Laleh Alisaraie, Yangxin Fu and Jack A. Tuszynski

      Article first published online: 26 DEC 2012 | DOI: 10.1111/cbdd.12082

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      Dynamic conformational changes of the soluble Guanylate Cyclase (sGC) in complex with heme, and NO-independent activators are studied. As well, a new alternative binding site is introduced.

    6. Highly Predictive Ligand-based Pharmacophore and Homology Models of ABHD6 (pages 382–388)

      Anna L. Bowman and Alexandros Makriyannis

      Article first published online: 26 DEC 2012 | DOI: 10.1111/cbdd.12086

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      Highly predictive pharmacophore models and a refined homology model of a largely uncharacterized enzyme, α/β-hydrolase domain-containing 6 (ABHD6) are described. In combination, the two models will facilitate the development of novel, selective inhibitors for this potential therapeutic target.

    7. Synthesis and Evaluation of a Series of 3,4,5-Trimethoxycinnamic Acid Derivatives as Potential Antinarcotic Agents (pages 389–398)

      Jae-Chul Jung, Sohyeon Moon, Dongguk Min, Woo Kyu Park, Mankil Jung and Seikwan Oh

      Article first published online: 26 DEC 2012 | DOI: 10.1111/cbdd.12087

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      A series of 3,4,5-trimethoxycinnamic acid (TMCA) derivatives was prepared and evaluated for antinarcotic effects on morphine dependence in mice and binding affinities on serotonergic receptors.

    8. Synthesis and Quantum Chemical Studies of New 4-aminoquinazoline Derivatives as Aurora A/B Kinase Inhibitors (pages 399–407)

      Ming Zheng, Youguang Zheng, Yunsheng Xue, Yi Liu, Lin An, Ling Zhang, Min Ji, Bai Xue, Xuan Wu, Xuedong Gong, Ning Gu and Xi Zhan

      Article first published online: 26 DEC 2012 | DOI: 10.1111/cbdd.12089

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      Novel 4-aminoquinazoline derivatives have been designed, synthesized and evaluated for their Aurora A/B kinase inhibitory and antitumor activities.

    9. Boron-Containing Peptidomimetics – A Novel Class of Selective Anti-tubercular Drugs (pages 408–413)

      Alexey S. Gorovoy, Olga V. Gozhina, John S. Svendsen, Anna A. Domorad, George V. Tetz, Victor V. Tetz and Tore Lejon

      Article first published online: 26 DEC 2012 | DOI: 10.1111/cbdd.12091

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      Synthesis and in vitro testing of a new class of highly selective antimicrobial boron-containing peptidomimetics with compounds exhibiting activity against Mycobacterium tuberculosis.

    10. Design and Evaluation of 4-Aminophenol and Salicylate Derivatives as Free-Radical Scavenger (pages 414–419)

      Rosivaldo S. Borges, Glaécia A. N. Pereira, Joyce K. L. Vale, Luiz C. S. França, Marta C. Monteiro, Cláudio N. Alves and Albérico B. F. da Silva

      Article first published online: 13 FEB 2013 | DOI: 10.1111/cbdd.12096

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      The drug design and evaluation of the free radical scavenging effect for the molecular association of 4-aminophenol and salicylate derivatives using DFT methods and the rapid methods of evaluation DPPH and TBARS. The associate derivatives exhibited a more potent inhibition than the salicylic acid, while the benzoyl compound exhibited a more potent inhibition than paracetamol.

  4. Research Letters

    1. Top of page
    2. Issue Information
    3. Review
    4. Research Articles
    5. Research Letters
    1. Design, Synthesis and Structure–Activity Relationship of New Arginine Vasopressin Analogues Containing Proline Derivatives in Position 2 (pages 420–428)

      Anna Kwiatkowska, Monika Lewandowska, Lenka Borovičková, Jiřina Slaninová, Bernard Lammek and Adam Prahl

      Article first published online: 13 FEB 2013 | DOI: 10.1111/cbdd.12093

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      In this work, we decided to investigate how the substitution of position 2 of AVP with proline derivatives: indoline-2-carboxylic acid (Ica) or (2S,4R)-4-(naphthalene-2-ylmethyl)pyrrolidine-2-carboxylic acid (Nmp) would affect the biological potency of the resulting analogues.

    2. Aryl-Heteroaryl Derivatives as Novel Wake-Promoting Agents (pages 429–432)

      Brigitte Lesur, Yin G. Lin, Val R. Marcy, Lisa D. Aimone, John Gruner, Edward R. Bacon and Sankar Chatterjee

      Article first published online: 26 DEC 2012 | DOI: 10.1111/cbdd.12083

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      Novel compound 16 was conceptualized, synthesized and its enantiomers were characterized as a next generation molecule to modafinil (1), an atypical wake promoting agent.

    3. From an Atypical Wake-promoting Agent to Potent Histamine-3 Receptor Inverse Agonists (pages 433–435)

      Derek Dunn, Rita Raddatz, Mark A. Ator, Edward R. Bacon and Sankar Chatterjee

      Article first published online: 13 FEB 2013 | DOI: 10.1111/cbdd.12094

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      Modafinil (1), an atypical wake-promoting agent and inactive in H3 assays acted as a launching pad for compound 27, a potent H3 inverse agonist.

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