RSC - Med. Chem. Commun. latest articles

DNA binding and cytotoxicity of fluorescent curcumin-based Zn(II) complexes

Med. Chem. Commun., 2012, Advance Article
DOI: 10.1039/C2MD00261B, Concise Article

Daniela Pucci, Tommaso Bellini, Alessandra Crispini, Igea D'Agnano, Paola F. Liguori, Pilar Garcia-Orduna, Sante Pirillo, Alessandra Valentini, Giuliano Zanchetta
The simultaneous presence of the curcumin framework and of the zinc(II) ion allows a series of heteroleptic complexes to combine, in a single molecule, anticancer properties and an intrinsic fluorescence which results in an excellent tool for investigating their interaction with DNA through a new optical method.
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Synthesis and biological activities of ferrocenyl derivatives of paclitaxel

Med. Chem. Commun., 2012, Accepted Manuscript
DOI: 10.1039/C2MD00315E, Concise Article

Damian Plazuk, Anna Wieczorek, Andrzej Blauz, Blazej Rychlik
A series of ferrocenyl taxoids have been prepared, in good yield, by acylation of taxol and docetaxel with ferrocenecarboxylic acid and 3-ferrocenoylpropionic acid. The prepared compounds have shown high activities...
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Synthesis and bioevaluation of aryl hydroxamates distinguishing between NAD+ and ATP-dependent DNA ligases

Med. Chem. Commun., 2012, Advance Article
DOI: 10.1039/C2MD00168C, Concise Article

Vandna Kukshal, Mridul Mishra, Arya Ajay, Taran Khanam, Rahul Sharma, Divya Dube, Deepti Chopra, Rama Pati Tripathi, Ravishankar Ramachandran
Identification of low molecular weight hydroxamates as Mycobacterial NAD-LigA inhibitors via virtual screening and in vitro screen protocol.
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Squaric acid: a valuable scaffold for developing antimalarials?

Med. Chem. Commun., 2012, Accepted Manuscript
DOI: 10.1039/C2MD20011B, Concise Article

S. Praveen Kumar, Paulo M. C. Gloria, Lidia M. Goncalves, Jiri Gut, Philip Rosenthal, Rui Moreira, Maria M. M. Santos
We describe here the synthesis of a library of thirty eight squaric derivatives and the evaluation of activity against papain, falcipain-2 and a chloroquine-resistant strain of P. falciparum. The most...
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Gd(III) Chelates for MRI Contrast Agents: from High Relaxivity to "Smart", from Blood-Pool to Blood-Brain Barrier Permeable

Med. Chem. Commun., 2012, Accepted Manuscript
DOI: 10.1039/C2MD00279E, Review

Chang-Tong Yang, Kai-Hsiang Chuang
Paramagnetic Gd(III) chelates contrast agents have been extensively used to enhance the signal of MRI scans for the last three decades. Using of Gd(III) chelates contrast agents is projected to...
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Investigation of the effect of molecular properties on the binding kinetics of a ligand to its biological target

Med. Chem. Commun., 2012, Advance Article
DOI: 10.1039/C2MD00270A, Concise Article

Duncan C. Miller, Graham Lunn, Peter Jones, Yogesh Sabnis, Nichola L. Davies, Paul Driscoll
A database of binding kinetic data across multiple targets has been created and analysed for physicochemical property trends.
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Improved biodistribution, pharmacokinetics and photodynamic efficacy using a new photostable sulfonamide bacteriochlorin

Med. Chem. Commun., 2012, Accepted Manuscript
DOI: 10.1039/C2MD00308B, Concise Article

Janusz Marcin Dabrowski, Luis G Arnaut, Mariette M. Pereira, Krystyna Urbanska, Grazyna Stochel
The bacteriochlorin-mediated PDT effects on melanoma tumours were investigated in correlation with its biodistribution. The pharmacokinetics of the photostable 5,10,15,20-tetrakis(2,6-dichloro-3-N-ethylsulfamoylphenyl)bacteriochlorin was determined in DBA mice bearing S91melanoma tumours at different...
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Mechanism-based bipartite matching molecular series graphs to identify structural modifications of receptor ligands that lead to mechanism hopping

Med. Chem. Commun., 2012, Advance Article
DOI: 10.1039/C2MD00281G, Concise Article

Preeti Iyer, Jurgen Bajorath
Shown is a series of adenosine A1 receptor ligands in which substitutions at a single site lead to mechanism hopping (blue, agonist; green, partial agonist; red, antagonist; and gray, inverse agonist).
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Rhodanine carboxylic acids as novel inhibitors of histone acetyltransferases

Med. Chem. Commun., 2012, Advance Article
DOI: 10.1039/C2MD00211F, Concise Article

Silviya D. Furdas, Suhaib Shekfeh, Srinivasaraghavan Kannan, Wolfgang Sippl, Manfred Jung
Virtual screening has identified rhodanine containing carboxylic acids as new inhibitors of histone acetyltransferases.
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[small beta]-Lactams and [small beta]-lactones as activity-based probes in chemical biology

Med. Chem. Commun., 2012, Advance Article
DOI: 10.1039/C2MD00275B, Review

Thomas Bottcher, Stephan A. Sieber
[small beta]-Lactams and [small beta]-lactones are attractive scaffolds for the design of molecular probes for proteome profiling and represent valuable tools for broad applications ranging from functional studies to drug development.
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Structure-based optimization of the piperazino-containing 1,3-disubstituted ureas affording sub-nanomolar inhibitors of soluble epoxide hydrolase

Med. Chem. Commun., 2012, Advance Article
DOI: 10.1039/C2MD00288D, Concise Article

Shao-Xu Huang, Bin Cao, Christophe Morisseau, Yi Jin, Bruce D. Hammock, Ya-Qiu Long
The primary and secondary pharmacophores on the piperazino-containing 1,3-disubstituted urea scaffold were optimized based on the structure of the inhibitor-enzyme complex, generating sub-nanomolar sEH inhibitors with favorable water solubility.
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A NIR Dye for Development of Peripheral Nerve Targeted Probes

Med. Chem. Commun., 2012, Accepted Manuscript
DOI: 10.1039/C2MD00297C, Concise Article

Tiffany Gustafson, Ying Yan, Piyaraj Newton, Daniel Hunter, Samuel Achilefu, Walter Akers, Susan Mackinnon, Philip Johnson, Mikhail Berezin
Current imaging modalities lack the ability to quickly assess and classify nerve injury for predicting a favourable versus unfavourable healing outcomes, which could minimize episodes of chronic pain and loss...
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Pyridylthiazole-Based Ureas as Inhibitors of Rho Associated Protein Kinases (ROCK1 and 2)

Med. Chem. Commun., 2012, Accepted Manuscript
DOI: 10.1039/C2MD00320A, Concise Article

Nicholas J Lawrence, Roberta Pireddu, Kara Forinash, Nan Sun, Mathew Martin, Shen-Shu Sung, Brian Alexander, Jin-Yi Zhu, Wayne Guida, Ernst Schonbrunn, Said M Sebti
Potent ROCK inhibitors of a new class of 1-benzyl-3-(4-pyridylthiazol-2-yl)ureas have been identified. Remarkable differences in activity were observed for ureas bearing a benzylic stereogenic center. Derivatives with hydroxy, methoxy and...
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Engineering the synthetic potential of [small beta]-lactam synthetase and the importance of catalytic loop dynamics

Med. Chem. Commun., 2012, Advance Article
DOI: 10.1039/C2MD00305H, Concise Article

Jason W. Labonte, Fumitaka Kudo, Michael F. Freeman, Mary L. Raber, Craig A. Townsend
Structural and kinetic analysis of [small beta]-lactam synthetase ([small beta]LS) led to a limited set of mutations to create an active site pocket that exhibits diastereoselective preference for methyl-substituted native substrate.
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Synthesis and antifungal activity of 1,5-disubstituted-1,2,3-triazole containing fluconazole analogues

Med. Chem. Commun., 2012, Advance Article
DOI: 10.1039/C2MD00205A, Concise Article

Vandana S. Pore, Manisha A. Jagtap, Sandip G. Agalave, Atindra K. Pandey, Mohammad I. Siddiqi, Vikash Kumar, Praveen K. Shukla
Fluconazole based novel mimics containing 1,5-disubstituted 1,2,3-triazoles synthesized by using Ru catalysed 1,3 dipolar cycloaddition showed good antifungal activity against Candida albicans.
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Synthesis and anti-Helicobacter pylori activity of analogues of spirolaxine methyl ether

Med. Chem. Commun., 2012, Advance Article
DOI: 10.1039/C2MD00314G, Concise Article

Ivaylo Dimitrov, Daniel P. Furkert, John D. Fraser, Fiona J. Radcliff, Orla Finch, Margaret A. Brimble
The synthesis of eight analogues of spirolaxine methyl ether and their anti-Helicobacter pylori activity is reported.
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The discovery of novel 10,11-dihydro-5H-dibenz[b,f]azepine SIRT2 inhibitors

Med. Chem. Commun., 2012, Advance Article
DOI: 10.1039/C2MD00290F, Concise Article

Paolo Di Fruscia, Ka-Kei Ho, Sasiwan Laohasinnarong, Mattaka Khongkow, Sebastian H. B. Kroll, Suhail A. Islam, Michael J. E. Sternberg, Karin Schmidtkunz, Manfred Jung, Eric W.-F. Lam, Matthew J. Fuchter
The design, synthesis, biological evaluation and docking studies of a novel series of selective SIRT2 inhibitors are reported.
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The MEP Pathway and the Development of Inhibitors as Potential Anti-Infective Agents

Med. Chem. Commun., 2012, Accepted Manuscript
DOI: 10.1039/C2MD00298A, Review

Ian Hale, Paul O'Neill, Neil Berry, Audrey Odom, Raman Sharma
The non-mevalonate (or MEP) pathway represents an essential biosynthetic route used by plants, algae, and eubacteria to generate isoprenoid precursors. The MEP pathway has also been genetically validated in pathogenic...
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Small-Molecule Inhibitors of Dimeric Transcription Factors: Antagonism of Protein-Protein and Protein-DNA Interactions

Med. Chem. Commun., 2012, Accepted Manuscript
DOI: 10.1039/C2MD00289B, Review

Steven Fletcher, Jeremy Yap, Jamal Chauhan, Kwan-Young Jung, Lijia Chen, Edward Prochownik
Transcription factors are DNA-binding proteins that regulate the transcription of specific DNA sequences (genes) either alone or in combination with other proteins. Constitutive activation of transcription factors can lead to...
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Structural Enrichment of HTS Compounds from Available Commercial Libraries

Med. Chem. Commun., 2012, Accepted Manuscript
DOI: 10.1039/C2MD00302C, Concise Article

Alexei Pushechnikov, Tetyana Petrova, Alexander Chuprina, Raman Parkesh
Compounds from 36 commercial supplier libraries and NCI database were analysed to address the bias in structural features for the selection of small molecules for high-throughput screening (HTS). Initially a...
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Understanding and overcoming aminoglycoside resistance caused by N-6[prime or minute]-acetyltransferase

Med. Chem. Commun., 2012, Advance Article
DOI: 10.1039/C2MD00253A, Review

Kenward Vong, Karine Auclair
Resistance-causing AAC(6[prime or minute])s have been studied and avoided in a number of ways. AAC(6[prime or minute])-Ii surprises everyone with its complex allosteric behaviour.
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