Chemical Biology & Drug Design
© John Wiley & Sons A/S. Published by John Wiley & Sons Ltd
Edited By: David Selwood
Impact Factor: 2.469
ISI Journal Citation Reports © Ranking: 2012: 27/59 (Chemistry Medicinal); 176/290 (Biochemistry & Molecular Biology)
Online ISSN: 1747-0285
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BIT's 11th Annual Congress of International Drug Discovery Science & Technology, Therapy and EXPO
The 11th Congress of International Drug Discovery Science and Technology 2013 aims to offer professionals in the field of drug discovery a multidisciplinary platform to discuss and to share knowledge about the latest scientific discoveries and current industry standards. The IDDST is also the place to start interesting new collaborations between academia, industry and institutes to further develop or apply drug discovery and technologies towards the market.
Recently Published Articles
- Benzocaine complexation with p-sulfonic acid calix[n]arene: experimental (1H-NMR) and theoretical approaches
Lucas Micquéias Arantes, Eduardo Vinícius Vieira Varejão, Karin Juliane Pelizzaro-Rocha, Cíntia Maria Saia Cereda, Eneida de Paula, Maicon Pierre Lourenço, Hélio Anderson Duarte and Sergio Antonio Fernandes
Accepted manuscript online: 2 DEC 2013 01:14AM EST | DOI: 10.1111/cbdd.12267
The architetures of inclusion complexes between benzocaine and p-sulfonic acid calix[n]arenes were characterized by means of experimental 1H NMR spectroscopy and theoretical calculations. In vitro cytotoxic tests showed that complexation intensifies the intrinsic toxicity of benzocaine, possibly by favoring its partitioning inside biomembranes.
- Structure-Based Evaluation of C5 Derivatives in the Catechol Diether Series Targeting HIV-1 Reverse Transcriptase
Kathleen M. Frey, William T. Gray, Krasimir A. Spasov, Mariela Bollini, Ricardo Gallardo-Macias, William L. Jorgensen and Karen S. Anderson
Accepted manuscript online: 2 DEC 2013 01:14AM EST | DOI: 10.1111/cbdd.12266
Potent inhibitors of HIV-1 targeting reverse transcriptase are evaluated using x-ray crystallography to elucidate the molecular interactions in the non-nucleoside binding pocket. Comparison of four crystal structures reveals unique binding modes of the inhibitors that correlate well with their respective potencies. An interaction between conserved residue Pro95 and the 5-Cl of the leading inhibitor may influence an optimal conformation for binding in the pocket and may be further exploited for future optimization of the compound series.
- Folic acid-conjugated 4-amino-phenylboronate, a boron-containing compound designed for boron neutron capture therapy, is an unexpected agonist for human neutrophils and platelets
Cesare Achilli, Sushilkumar A. Jadhav, Gianni F. Guidetti, Annarita Ciana, Vittorio Abbonante, Alessandro Malara, Maurizio Fagnoni, Mauro Torti, Alessandra Balduini, Cesare Balduini and Giampaolo Minetti
Accepted manuscript online: 25 NOV 2013 11:05AM EST | DOI: 10.1111/cbdd.12264
4-amino-phenylboronate conjugated with folic acid is a possible compound for selective delivery of 10B in Boron Neutron Capture Therapy. Its biocompatibility with blood cells was tested. It was completely inert towards erythrocytes, whereas it induced platelet aggregation, neutrophil oxidative burst and inhibition of platelet progenitor (megakaryocyte) development. Folic acid and 4-aminophenylboronate are each completely inert towards blood cells. A new property, that was not present in either of the reactants, appeared in the adduct.
- Synthesis of Methoxy-substituted Chalcones and in vitro Evaluation of their Anticancer Potential (pages 732–742)
Kannatt Radhakrishnan Ethiraj, Jesil Mathew Aranjani and Fazlur-Rahman Nawaz Khan
Article first published online: 25 NOV 2013 | DOI: 10.1111/cbdd.12184
Simple, highly efficient procedure from 2-naphtylethanone, 1 and aromatic aldehydes, 2 is reported. The in vitro cytotoxicity activity of the chalcones against a panel of three human cancer cell lines was explored. The tested compounds were found to possess significant cytotoxic activity. DNA stand break and damage was quantified by alkaline comet assay. Flow cytometric analysis and chromatin condensation studies revealed the apoptotic nature of the compounds.
- Synthesis and 3D-QSAR Analysis of 2-Chloroquinoline Derivatives as H37RV MTB Inhibitors (pages 669–684)
Ranjan C. Khunt, Vijay M. Khedkar and Evans C. Coutinho
Article first published online: 25 NOV 2013 | DOI: 10.1111/cbdd.12178
A series of 1 chloroquinoline bearing pyridine and pyrimidine ring system and fluoro/bromo at C-3 and C-6 of the quinoline ring were synthesized and evaluated for their antimycobacterial activity. The MIC data of antitubercular activity was performed for 3D QSAR analysis.