Copyright © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Editor-in-Chief: Natalia Ortúzar
Impact Factor: 3.046
ISI Journal Citation Reports © Ranking: 2013: 18/58 (Chemistry Medicinal); 75/256 (Pharmacology & Pharmacy)
Online ISSN: 1860-7187
March 28, 2015
Editor's Picks: Issue 04/2015
Editor's picks for issue 04: This month, two Full Papers by Markus Pietsch and co-workers and Michael Wiese and colleagues describe various ways to overcome drug resistance in cancer using small-molecule therapeutics. Read more...
Recently Published Articles
- Protein Flexibility in Drug Discovery: From Theory to Computation
Dr. Rosa Buonfiglio, Prof. Maurizio Recanatini and Dr. Matteo Masetti
Article first published online: 17 APR 2015 | DOI: 10.1002/cmdc.201500086
Flex and stretch: The mechanisms of biomolecular recognition are strongly coupled to the intrinsic dynamic of proteins. Accounting for protein flexibility in structure-based drug discovery is still a challenging task. This review describes the most important computational methods to model protein flexibility in light of the recent advances in the theories of biomolecular recognition.
- 2-Substituted 6-(Het)aryl-7-deazapurine Ribonucleosides: Synthesis, Inhibition of Adenosine Kinases, and Antimycobacterial Activity
Dr. Vincent Malnuit, Dr. Lenka Poštová Slavětínská, Dr. Petr Nauš, Dr. Petr Džubák, Prof. Marián Hajdúch, Dr. Jiřina Stolaříková, Dr. Jan Snášel, Dr. Iva Pichová and Prof. Dr. Michal Hocek
Article first published online: 16 APR 2015 | DOI: 10.1002/cmdc.201500081
Specific for Mtb ADK: A series of diverse 2-substituted 6-heteroaryl-7-deazapurine ribonucleosides was prepared and the title compounds were found to be potent and selective inhibitors of Mycobacterium tuberculosis (but not human) adenosine kinase. Unfortunately, their antimycobacterial activity was observed to be weak, probably due to poor uptake or parallel biosynthesis.
- Toll-Like Receptor 7 Inactive Ligands Enhanced Cytokine Induction by Conjugation to Weak Antigens
Dr. Dong Gao, Dr. Yuwen Diao, Wang Li, Dr. Ningning Gao, Dr. Yu Liu, Zhulin Wang, Prof. Wenqi Jiang and Prof. Guangyi Jin
Article first published online: 16 APR 2015 | DOI: 10.1002/cmdc.201500088
Awakened by conjugation: We revealed that the conjugates between antigens and a series of inactive adenine analogues can trigger a profound induction of inflammatory cytokines. The free adenine analogues themselves lack such immunostimulatory activity and agonism toward toll-like receptors 7/8, making them better suited as inert adjuvants with decreased side effects.
- Oxidative Metabolism of Ferrocene Analogues of Tamoxifen: Characterization and Antiproliferative Activities of the Metabolites
Dr. Marie-Aude Richard, Dr. Didier Hamels, Dr. Pascal Pigeon, Dr. Siden Top, Dr. Patrick M. Dansette, Hui Zhi Shirley Lee, Dr. Anne Vessières, Dr. Daniel Mansuy and Prof. Gérard Jaouen
Article first published online: 16 APR 2015 | DOI: 10.1002/cmdc.201500075
Allez Paris FC! Ferrociphenols (FCs) show antitumor activities against estrogen-indepedent breast cancer cells. Their oxidation by rat and human liver microsomes leads to the formation of three main classes of metabolites: quinone methides (QMs), cyclic indene products (CPs), and allylic alcohols (AAs). Some of these ferrocene compounds were found to exhibit remarkable antiproliferative effects.
- Synthesis and Pharmacological Evaluation of α4β2 Nicotinic Ligands with a 3-Fluoropyrrolidine Nucleus
Dr. Lucia Tamborini, Dr. Andrea Pinto, Dr. Roberta Ettari, Dr. Cecilia Gotti, Dr. Francesca Fasoli, Prof. Paola Conti and Prof. Carlo De Micheli
Article first published online: 16 APR 2015 | DOI: 10.1002/cmdc.201500073
Basicity tuned by F: By combining structural features of niodene and compound B, we developed new α4β2 receptor ligands characterized by the 3-fluoropyrrolidine nucleus. Derivatives (2S,4R)-11 and (2S,4R)-12 were highlighted as the most promising ligands identified in this study, showing good affinity and selectivity for the α4β2 subtype and physicochemical properties predictive of good central nervous system penetration.