Chemical Biology & Drug Design

Cover image for Vol. 85 Issue 4

April 2015

Volume 85, Issue 4

Pages i–iii, 411–517

  1. Issue Information

    1. Top of page
    2. Issue Information
    3. Editor's Choice
    4. Research Articles
    5. Review
    6. Research Letter
    7. Research Articles
    1. Issue Information (pages i–iii)

      Article first published online: 11 MAR 2015 | DOI: 10.1111/cbdd.12406

  2. Editor's Choice

    1. Top of page
    2. Issue Information
    3. Editor's Choice
    4. Research Articles
    5. Review
    6. Research Letter
    7. Research Articles
    1. A Fluorescent Probe for Imaging p53–MDM2 Protein–Protein Interaction (pages 411–417)

      Zhenzhen Liu, Zhenyuan Miao, Jin Li, Kun Fang, Chunlin Zhuang, Lupei Du, Chunquan Sheng and Minyong Li

      Article first published online: 10 OCT 2014 | DOI: 10.1111/cbdd.12434

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      A novel small-molecule fluorescent probe was developed to detect and image the p53–MDM2 interaction based on an environment-sensitive fluorophore, N,N-dimethyl-1,8-naphthalimide. After extensive biological examination, this probe L1 exhibited practical activity and selectivity in vitro and in cellulo.

  3. Research Articles

    1. Top of page
    2. Issue Information
    3. Editor's Choice
    4. Research Articles
    5. Review
    6. Research Letter
    7. Research Articles
    1. Structure-Based Grafting, Mutation, and Optimization of Peptide Inhibitors to Fit in the Active Pocket of Human Secreted Phospholipase A2: Find New Use of Old Peptide Agents with Anti-Inflammatory Activity (pages 418–426)

      Chengye Zhan, Shusheng Li, Qiang Zhong and Daixing Zhou

      Article first published online: 24 SEP 2014 | DOI: 10.1111/cbdd.12424

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      A protocol is described to conduct structure-based grafting, mutation, and optimization of peptide ligands from the snake PLA2–peptide complex crystal structures into the active pocket of apo hsPLA2 structure to computationally generate a number of potent peptide inhibitors for hsPLA2. Several designed peptides are determined to have high inhibitory activity against hsPLA2.

    2. In vitro Antiviral Effects and 3D QSAR Study of Resveratrol Derivatives as Potent Inhibitors of Influenza H1N1 Neuraminidase (pages 427–438)

      Chao Li, Jian-Song Fang, Wen-Wen Lian, Xiao-Cong Pang, Ai-Lin Liu and Guan-Hua Du

      Article first published online: 29 SEP 2014 | DOI: 10.1111/cbdd.12425

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      50 resveratrol derivatives were evaluated neuraminidase (NA) inhibitory activity and 35 of them with quantitative IC50 were used to develop 3D QSAR models for understanding the chemical-biological interactions governing their activities against NA. Molecular docking was performed to study the molecular interactions between the RV derivatives and NA. CPE reduction assay was used to evaluate the anti-viral effects of the RV derivatives in vitro.

    3. Design, Synthesis, Biological Screening, and Molecular Docking Studies of Piperazine-Derived Constrained Inhibitors of DPP-IV for the Treatment of Type 2 Diabetes (pages 439–446)

      Ram N. Kushwaha, Rohit Srivastava, Akansha Mishra, Arun K. Rawat, Arvind K. Srivastava, Wahajul Haq and Seturam B. Katti

      Article first published online: 15 OCT 2014 | DOI: 10.1111/cbdd.12426

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      The piperazine-derived constrained compound, 2g was identified as a potent DPP-IV inhibitor having good antidiabetic, antidyslipidemic and insulin resistance reversal properties. Molecular docking is in favor of observed biological activity.

    4. si-RNA-Mediated Knockdown of PDLIM5 Suppresses Gastric Cancer Cell Proliferation in Vitro (pages 447–453)

      Yanliang Li, Yongsheng Gao, Yue Xu, Xianjun Sun, Xilin Song, Heng Ma and Mingshan Yang

      Article first published online: 23 OCT 2014 | DOI: 10.1111/cbdd.12428

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      PDLIM5 is widely expressed in human gastric cancer cell lines. Knockdown of PDLIM5 significantly inhibited gastric cancer cell proliferation via cell cycle arrest and apoptosis. si-RNA-mediated silencing of PDLIM5 might serve as a potential therapeutic approach for the treatment of gastric cancer.

    5. Synthesis, Antidepressant Activity, and Toxicity of the Erythro/Threo Racemates and Optical Isomers of 2-(4-benzylpiperazin-1-yl)-1-(5-chloro-6-methoxynaphthalen-2-yl)hexan-1-ol (pages 454–460)

      Zhijie Weng, Yongyong Zheng and Jianqi Li

      Article first published online: 24 OCT 2014 | DOI: 10.1111/cbdd.12438

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      The erythro/threo racemates and their four optical isomers of 2-(4-benzylpiperazin-1-yl)-1-(5-chloro-6-methoxynaphthalen-2-yl)hexan-1-ol were synthesized and evaluated for their antidepressant activity, toxicity, and pharmacokinetics as novel triple multiple reuptake inhibitors of monoamine transmitters. Pharmacological data indicate that the erythro racemate (SIPI5357) that has better inhibitory activity and lower toxicity than the other racemate and optical isomers is worthy of further evaluation.

  4. Review

    1. Top of page
    2. Issue Information
    3. Editor's Choice
    4. Research Articles
    5. Review
    6. Research Letter
    7. Research Articles
    1. You have free access to this content
      Histamine H4 Receptor Ligands: Future Applications and State of Art (pages 461–480)

      Michelle Fidelis Corrêa and João Paulo dos Santos Fernandes

      Article first published online: 27 OCT 2014 | DOI: 10.1111/cbdd.12431

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      H4 receptors ligands can have applications in the treatment of chronic inflammatory and immune diseases. Several H4 receptor ligands have been described from early 2000's till nowadays, being imidazole, indolecarboxamide, 2-aminopyrimidine, quinazoline and quinoxaline scaffolds the most explored and discussed in this review, as well as possible pharmacophores to H4 receptor binding.

  5. Research Letter

    1. Top of page
    2. Issue Information
    3. Editor's Choice
    4. Research Articles
    5. Review
    6. Research Letter
    7. Research Articles
    1. Discovery of New Non-Steroidal Farnesoid X Receptor Modulators Through 3D Shape Similarity Search and Structure-Based Virtual Screening (pages 481–487)

      Lei Wang, Pei Si, Yayun Sheng, Yingjie Chen, Ping Wan, Xu Shen, Yun Tang, Lili Chen and Weihua Li

      Article first published online: 10 OCT 2014 | DOI: 10.1111/cbdd.12432

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      The results of transient transfection experiments showed that two compounds can inhibit farnesoid X receptor (FXR) functions in a concentration-dependent manner with IC50 of 8.39 and 6.53 μm, respectively. Both of them can comfortably fit in the FXR binding pocket.

  6. Research Articles

    1. Top of page
    2. Issue Information
    3. Editor's Choice
    4. Research Articles
    5. Review
    6. Research Letter
    7. Research Articles
    1. Roles of Basic Amino Acid Residues in the Activity of μ-Conotoxin GIIIA and GIIIB, Peptide Blockers of Muscle Sodium Channels (pages 488–493)

      Kazuki Sato, Yoko Yamaguchi, Yukisato Ishida and Yasushi Ohizumi

      Article first published online: 30 SEP 2014 | DOI: 10.1111/cbdd.12433

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      Seven analogs of μ-conotoxin GIIIA and two analogs of μ-conotoxin GIIIB were synthesized. The inhibitory effects on the twitch contractions of the rat diaphragm showed that the side chain guanidino group of Arg13 of μ-conotoxin GIIIA was important for the activity, whereas that of Arg19 has little role in the biological activity. The results on the analogs of μ-conotoxin GIIIB suggested that there was an appropriate molecular basicity for the maximum activity.

    2. 1,2-Diaryl-2-hydroxyiminoethanones as Dual COX-1 and β-Amyloid Aggregation Inhibitors: Biological Evaluation and In Silico Study (pages 494–503)

      Hamid Irannejad, Oya Unsal Tan, Keriman Ozadali, Sakineh Dadashpour, Tuba Tuylu Kucukkilinc, Nematollah Ahangar, Mahsa Ahmadnejad and Saeed Emami

      Article first published online: 11 OCT 2014 | DOI: 10.1111/cbdd.12435

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      A series of 1,2-diaryl-2-hydroxyiminoethanones containing vicinal diaryl pharmacophore of COX inhibitors were tested by a set of in vitro, in vivo and computational studies. Compounds 3 (R= MeO) and 5 (R= F) were highly selective COX-1 inhibitors along with the ability to prevent β-amyloid fibril formation.

    3. Synthesis and Evaluation of Technetium-99m-Labeled Bioreductive Pharmacophores Conjugated with Amino Acids and Peptides for Tumor Imaging (pages 504–517)

      Rinku Baishya, Dipak K. Nayak, Sanmoy Karmakar, Sankha Chattopadhyay, Satbir S. Sachdeva, Bharat R. Sarkar, Shantanu Ganguly and Mita C. Debnath

      Article first published online: 24 OCT 2014 | DOI: 10.1111/cbdd.12437

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      Technetium-99m-labeled 5-nitroimidazolyl amino acids and RGD-coupled 2-nitroimidazoles have been synthesized and reported for molecular imaging agent in cancer diagnosis. Cell binding studies in EAC and B16F10 cell lines also revealed rapid and comparatively high cellular internalization. Scintigraphy and fluorescent microscopy suggest the great potentiality of the pharmacophore as tumor imaging agent.

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