Chemical Biology & Drug Design

Cover image for Vol. 77 Issue 4

April 2011

Volume 77, Issue 4

Pages i–iii, 225–300

  1. Issue Information

    1. Top of page
    2. Issue Information
    3. Research Articles
    4. Research Letters
    5. Research Articles
    6. Research Letters
    7. Calendar of Events – April 2011
    1. Issue Information (pages i–iii)

      Article first published online: 11 MAR 2011 | DOI: 10.1111/j.1747-0285.2010.01107.x

  2. Research Articles

    1. Top of page
    2. Issue Information
    3. Research Articles
    4. Research Letters
    5. Research Articles
    6. Research Letters
    7. Calendar of Events – April 2011
    1. You have free access to this content
      Rational Design of α-Helical Antimicrobial Peptides to Target Gram-negative Pathogens, Acinetobacter baumannii and Pseudomonas aeruginosa: Utilization of Charge, ‘Specificity Determinants,’ Total Hydrophobicity, Hydrophobe Type and Location as Design Parameters to Improve the Therapeutic Ratio (pages 225–240)

      Ziqing Jiang, Adriana I. Vasil, Lajos Gera, Michael L. Vasil and Robert S. Hodges

      Article first published online: 2 FEB 2011 | DOI: 10.1111/j.1747-0285.2011.01086.x

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      De-novo designed α-helical antimicrobial peptide D16 achieved therapeutic indices of 3355 and 895 against Acinetobacter baumannii and Pseudomonas aeruginosa, which is 1305-fold and 895-fold compared to starting compound D1 (V13), respectively. D16 is an ideal candidate for commercialization as a clinical therapeutic to treat gram-negative bacterial infections.

    2. N-Substituted Glutamyl Sulfonamides as Inhibitors of Glutamate Carboxypeptidase II (GCP2) (pages 241–247)

      Brian R. Blank, Pinar Alayoglu, William Engen, Joseph K. Choi, Clifford E. Berkman and Marc O. Anderson

      Article first published online: 22 FEB 2011 | DOI: 10.1111/j.1747-0285.2011.01085.x

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      A small library of glutamyl sulfonamides was prepared and evaluated for in vitro potency against glutamate carboxypeptidase II (GCP2). Short alkyl sulfonamide inhibitors were the most potent, demonstrating low micromolar IC50 values.

    3. Structural Requirements of Isoquinolones as Novel Selective c-Jun N-terminal Kinase 1 Inhibitors: 2D and 3D QSAR Analyses (pages 248–254)

      Juan Du, Lili Xi, Beilei Lei, Huanxiang Liu and Xiaojun Yao

      Article first published online: 28 JAN 2011 | DOI: 10.1111/j.1747-0285.2010.01068.x

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      A combined molecular modeling study for a set of isoquinolones as inhibitors of c-Jun N-terminal kinase 1 (JNK1) was performed by molecular docking, genetic algorithm-multiple linear regression and comparative molecular field analysis to rationalize the structural requirements responsible for the inhibitory activity of these compounds. The result will be useful for the design of novel selective JNK1 inhibitors with potential inhibitory activity.

    4. Synthesis and Biological Evaluation of New Quinoxaline Derivatives as Antioxidant and Anti-Inflammatory Agents (pages 255–267)

      Asunción Burguete, Eleni Pontiki, Dimitra Hadjipavlou-Litina, Saioa Ancizu, Raquel Villar, Beatriz Solano, Elsa Moreno, Enrique Torres, Silvia Pérez, Ignacio Aldana and Antonio Monge

      Article first published online: 9 FEB 2011 | DOI: 10.1111/j.1747-0285.2011.01076.x

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      The synthesis, anti-inflammatory and antioxidant activities of new quinoxaline derivatives are reported. The new compounds exhibit important scavenging activities and promising values of in vitro inhibition of soybean LOX, One of them shows strong in vivo anti-inflammatory effect similar to that of indomethacin used as the reference drug.

  3. Research Letters

    1. Top of page
    2. Issue Information
    3. Research Articles
    4. Research Letters
    5. Research Articles
    6. Research Letters
    7. Calendar of Events – April 2011
    1. Sequential Virtual Screening Approach to the Identification of Small Organic Molecules as Potential BACE-1 Inhibitors (pages 268–271)

      Gianpaolo Chiriano, Andrea Sartini, Francesca Mancini, Vincenza Andrisano, Maria L. Bolognesi, Marinella Roberti, Maurizio Recanatini, Paolo Carloni and Andrea Cavalli

      Article first published online: 2 FEB 2011 | DOI: 10.1111/j.1747-0285.2011.01087.x

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      The sequential application of two different in silico screening approaches combined with bioassays led to the identification of small organic molecules as potential BACE-1 inhibitors. The binding mode of 2 was characterized through subsequent docking simulations.

  4. Research Articles

    1. Top of page
    2. Issue Information
    3. Research Articles
    4. Research Letters
    5. Research Articles
    6. Research Letters
    7. Calendar of Events – April 2011
    1. Site-Specific Free Energy Changes in Proteins upon Ligand Binding by Nuclear Magnetic Resonance: Ca2+-Displacement by Ln3+ in a Ca2+-Binding Protein from Entamoeba histolytica (pages 272–280)

      Kousik Chandra, Sourajit M. Mustafi, Subramanian Muthukumar and Kandala V. R. Chary

      Article first published online: 22 FEB 2011 | DOI: 10.1111/j.1747-0285.2011.01090.x

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      NMR is a powerful tool in deriving information related to protein-ligand interactions as NMR data provides site-specific information even in the case of complex systems like proteins having multiple-binding sites. In this work, we attempted to obtain thermodynamic parameters for a displacement reaction in a site specific manner using solely NMR data. This approach can be extended to more complex systems to obtain site specific information which remains so far not addressable by other existing technique such as ITC.

    2. Interaction of a Curcumin Analogue Dimethoxycurcumin with DNA (pages 281–287)

      Amit Kunwar, Emmanuel Simon, Umang Singh, Rajnikant K. Chittela, Deepak Sharma, Santosh K. Sandur and Indira K. Priyadarsini

      Article first published online: 2 FEB 2011 | DOI: 10.1111/j.1747-0285.2011.01083.x

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      Dimethoxycurcumin, binds to calf thymus DNA. The studies monitored by absorption and fluorescence spectroscopy, confirmed preferential binding at the minor groove of DNA

    3. Ligand-Based 3D-QSAR Studies of Diaryl Acyl-sulfonamide Analogues as Human Umbilical Vein Endothelial Cells Inhibitors Stimulated by VEGF (pages 288–294)

      Zaheer Ul-Haq, Uzma Mahmood, Sualeha Reza, Reaz Uddin and Mehwish Aleem

      Article first published online: 22 FEB 2011 | DOI: 10.1111/j.1747-0285.2011.01084.x

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      In absence of binding mechanism for the ligand with VEGF receptor, a ligand based 3D-QSAR study of fifty diaryl acylsulfonamide derivatives was performed using Comparative Molecular Field Analysis (CoMFA) models

  5. Research Letters

    1. Top of page
    2. Issue Information
    3. Research Articles
    4. Research Letters
    5. Research Articles
    6. Research Letters
    7. Calendar of Events – April 2011
    1. In Vitro Antifungal and Antibacterial Activities of Pentacycloundecane Tetra-Amines (pages 295–299)

      Oluseye K. Onajole, Yacoob Coovadia, Thavendran Govender, Hendrik G. Kruger, Glenn E. M. Maguire, Dianithi Naidu, Nisha Singh and Patrick Govender

      Article first published online: 22 FEB 2011 | DOI: 10.1111/j.1747-0285.2011.01055.x

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      The antifungal and antimicrobial activities of three pentacycloundecane (PCU) tetra-amines derivatives are reported herein. The MIC against most of the tested clinical fungal strains for GKM8 and GKM9 derivatives range from 15.6 to 62.5 μg/mL while GKM11 ranged from 3.9 to 7.8 μg/mL. The GKM11 derivative was also active against fluconazole resistant strains of fungi. The GKM11 derivative also exhibited promising activity against filamentous fungi in that it was 2.5 times more active than amphotericin B against Sporothrix schenckii. The GKM11 derivative was mainly active against Gram-positive bacteria with MIC ranging from 3.9 to 7.8 μg/mL

  6. Calendar of Events – April 2011

    1. Top of page
    2. Issue Information
    3. Research Articles
    4. Research Letters
    5. Research Articles
    6. Research Letters
    7. Calendar of Events – April 2011
    1. Calendar of Events – April 2011 (page 300)

      Article first published online: 11 MAR 2011 | DOI: 10.1111/j.1747-0285.2011.01079.x

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