RSC Medicinal Chemistry Blog

The articles below are the most read MedChemComm articles in July, August and September 2015.

Transition metal diamine complexes with antimicrobial activity against Staphylococcus aureus and methicillin-resistant S. aureus (MRSA)
G. W. Karpin, D. M. Morris, M. T. Ngo, J. S. Merola and J. O. Falkinham III
DOI: 10.1039/C5MD00228A, Concise Article

Multivalent glycoconjugates as vaccines and potential drug candidates
Sumati Bhatia, Mathias Dimde and Rainer Haag
DOI: 10.1039/C4MD00143E, Review Article

Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects
Isidro Cortés-Ciriano, Qurrat Ul Ain, Vigneshwari Subramanian, Eelke B. Lenselink, Oscar Méndez-Lucio, Adriaan P. IJzerman, Gerd Wohlfahrt, Peteris Prusis, Thérèse E. Malliavin, Gerard J. P. van Westen and Andreas Bender
DOI: 10.1039/C4MD00216D, Review Article

Towards understanding cell penetration by stapled peptides
Qian Chu, Raymond E. Moellering, Gerard J. Hilinski, Young-Woo Kim, Tom N. Grossmann, Johannes T.-H. Yeh and Gregory L. Verdine
DOI: 10.1039/C4MD00131A, Concise Article

Rational design of protein–protein interaction inhibitors
Didier Rognan
DOI: 10.1039/C4MD00328D, Review Article

Magic molecule modifiers
Derek Lowe
DOI: 10.1039/C5MD90028J, In the Pipeline

Optimisation of a triazolopyridine based histone demethylase inhibitor yields a potent and selective KDM2A (FBXL11) inhibitor
Katherine S. England, Anthony Tumber, Tobias Krojer, Giuseppe Scozzafava, Stanley S. Ng, Michelle Daniel, Aleksandra Szykowska, KaHing Che, Frank von Delft, Nicola A. Burgess-Brown, Akane Kawamura, Christopher J. Schofield and Paul E. Brennan
DOI: 10.1039/C4MD00291A, Concise Article

Identification of an inhibitor of the ubiquitin–proteasome system that induces accumulation of polyubiquitinated proteins in the absence of blocking of proteasome function
Caroline Haglund, Chitralekha Mohanty, Mårten Fryknäs, Padraig D’Arcy, Rolf Larsson, Stig Linder and Linda Rickardson
DOI: 10.1039/C3MD00386H, Concise Article

Amphiphilic designer nano-carriers for controlled release: from drug delivery to diagnostics
Malinda Salim, Hiroyuki Minamikawa, Akihiko Sugimura and Rauzah Hashim
DOI: 10.1039/C4MD00085D, Review Article

Design and synthesis of potent and selective inhibitors of BRD7 and BRD9 bromodomains
Duncan A. Hay, Catherine M. Rogers, Oleg Fedorov, Cynthia Tallant, Sarah Martin, Octovia P. Monteiro, Susanne Müller, Stefan Knapp, Christopher J. Schofield and Paul E. Brennan
DOI: 10.1039/C5MD00152H, Concise Article

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During the months April – June 2014, the most downloaded MedChemComm articles were:

The synthesis and functional evaluation of a mitochondria-targeted hydrogen sulfide donor, (10-oxo-10-(4-(3-thioxo-3H-1,2-dithiol-5- yl)phenoxy)decyl) triphenyl phosphonium bromide (AP39)
Sophie Le Trionnaire, Alexis Perry, Bartosz Szczesny, Csaba Szabo, Paul G. Winyard, Jacqueline L. Whatmore, Mark E. Wood and Matthew Whiteman
DOI: 10.1039/C3MD00323J

Emerging classes of armed antibody therapeutics against cancer
Christian Hess, Dario Venetz and Dario Neri
DOI: 10.1039/C3MD00360D

The role of modern drug discovery in the fight against neglected and tropical diseases
Jeremy N. Burrows, Richard L. Elliott, Takushi Kaneko, Charles E. Mowbray and David Waterson
DOI: 10.1039/C4MD00011K

Discovery of BET bromodomain inhibitors and their role in target validation
S. Müller and S. Knapp
DOI: 10.1039/C3MD00291H

Identification of an inhibitor of the ubiquitin–proteasome system that induces accumulation of polyubiquitinated proteins in the absence of blocking of proteasome function
Caroline Haglund, Chitralekha Mohanty, Mårten Fryknäs, Padraig D’Arcy, Rolf Larsson, Stig Linder and Linda Rickardson
DOI: 10.1039/C3MD00386H

Ambient mass spectrometry technologies for the detection of falsified drugs
María J. Culzoni, Prabha Dwivedi, Michael D. Green, Paul N. Newton and Facundo M. Fernández
DOI: 10.1039/C3MD00235G

Affinity-based target identification for bioactive small molecules
Makoto Kawatani and Hiroyuki Osada
DOI: 10.1039/C3MD00276D

Fragment growing to retain or alter the selectivity of anchored kinase hinge-binding fragments
Charlotte E. Allen, Amanda J. Welford, Thomas P. Matthews, John J. Caldwell and Ian Collins
DOI: 10.1039/C3MD00308F

Two diseases, one approach: multitarget drug discovery in Alzheimer’s and neglected tropical diseases
F. Prati, E. Uliassi and M. L. Bolognesi
DOI: 10.1039/C4MD00069B

FP tethering: a screening technique to rapidly identify compounds that disrupt protein–protein interactions
Jean M. Lodge, T. Justin Rettenmaier, James A. Wells, William C. Pomerantz and Anna K. Mapp
DOI: 10.1039/C3MD00356F

Please take a look at the following articles which were the Top Ten most accessed during January, February and March!

Minisci reactions: Versatile CH-functionalizations for medicinal chemists
Matthew A. J. Duncton  
Med. Chem. Commun., 2011,2, 1135-1161
DOI: 10.1039/c1md00134e

Amidines bearing benzofuroxan or benzimidazole 1,3-dioxide core scaffolds as Trypanosoma cruzi-inhibitors: structural basis for their interactions with cruzipain
Alicia Merlino, Diego Benitez, Nuria E. Campillo, Juan A. Páez, Luzineide W. Tinoco, Mercedes González and Hugo Cerecetto  
Med. Chem. Commun., 2012,3, 90-101
DOI: 10.1039/c1md00223f

Discovery of BET bromodomain inhibitors and their role in target validation
S. Müller and S. Knapp
Med. Chem. Commun., 2014,5, 288-296
DOI: 10.1039/c3md00291h

Metabolism-guided drug design
Antonia F. Stepan, Vincent Mascitti, Kevin Beaumont and Amit S. Kalgutkar
Med. Chem. Commun., 2013,4, 631-652
DOI: 10.1039/c2md20317k

3-Hydroxylation of the polycyclic tetramate macrolactam in the biosynthesis of antifungal HSAF from Lysobacter enzymogenes C3
Yaoyao Li, Justin Huffman, Yu Li, Liangcheng Du and Yuemao Shen
Med. Chem. Commun., 2012,3, 982-986
DOI: 10.1039/c2md20026k

Affinity-based target identification for bioactive small molecules
Makoto Kawatani and Hiroyuki Osada
Med. Chem. Commun., 2014,5, 277-287
DOI: 10.1039/c3md00276d

Fragment growing to retain or alter the selectivity of anchored kinase hinge-binding fragments
Charlotte E. Allen, Amanda J. Welford, Thomas P. Matthews, John J. Caldwell and Ian Collins  
Med. Chem. Commun., 2014,5, 180-185
DOI: 10.1039/c3md00308f

Ambient mass spectrometry technologies for the detection of falsified drugs
María J. Culzoni, Prabha Dwivedi, Michael D. Green, Paul N. Newton and Facundo M. Fernández  
Med. Chem. Commun., 2014,5, 9-19
DOI: 10.1039/c3md00235g

Microwave-assisted synthesis of N-heterocycles in medicinal chemistry
Davide Garella, Emily Borretto, Antonella Di Stilo, Katia Martina, Giancarlo Cravotto and Pedro Cintas  
Med. Chem. Commun., 2013,4, 1323-1343
DOI: 10.1039/c3md00152k

Target validation using in-cell small molecule clickable imaging probes
Brahma Ghosh and Lyn H. Jones
Med. Chem. Commun., 2014,5, 247-254
DOI: 10.1039/c3md00277b

If you have any thoughts or comments on any of these articles, please leave these in the comment box below!

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During October, November and December, the following articles were the Top Ten most accessed:

Repairing faulty genes by aminoglycosides: Identification of new pharmacophore with enhanced suppression of disease-causing nonsense mutations
Jeyakumar Kandasamy, Dana Atia-Glikin, Valery Belakhov and Timor Baasov
Med. Chem. Commun., 2011,2, 165-171
DOI: 10.1039/c0md00195c

Recent applications of multicomponent reactions in medicinal chemistry
Paul Slobbe, Eelco Ruijter and Romano V. A. Orru
Med. Chem. Commun., 2012,3, 1189-1218
DOI: 10.1039/c2md20089a

Minisci reactions: Versatile CH-functionalizations for medicinal chemists
Matthew A. J. Duncton
Med. Chem. Commun., 2011,2, 1135-1161
DOI: 10.1039/c1md00134e

Development and evaluation of selective, reversible LSD1 inhibitors derived from fragments
James R. Hitchin, Julian Blagg, Rosemary Burke, Samantha Burns, Mark J. Cockerill, Emma E. Fairweather, Colin Hutton, Allan M. Jordan, Craig McAndrew, Amin Mirza, Daniel Mould, Graeme J. Thomson, Ian Waddell and Donald J. Ogilvie
Med. Chem. Commun., 2013,4, 1513-1522
DOI: 10.1039/c3md00226h

Design, synthesis and antiproliferative activity of indole analogues of indanocine
Gemma A. Tunbridge, Joseph Oram and Lorenzo Caggiano
Med. Chem. Commun., 2013,4, 1452-1456
DOI: 10.1039/c3md00200d

Gd(iii) chelates for MRI contrast agents: from high relaxivity to “smart”, from blood pool to blood–brain barrier permeable
Chang-Tong Yang and Kai-Hsiang Chuang
Med. Chem. Commun., 2012,3, 552-565
DOI: 10.1039/c2md00279e

Microwave-assisted synthesis of N-heterocycles in medicinal chemistry
Davide Garella, Emily Borretto, Antonella Di Stilo, Katia Martina, Giancarlo Cravotto and Pedro Cintas
Med. Chem. Commun., 2013,4, 1323-1343
DOI: 10.1039/c3md00152k

Diaryl- and triaryl-pyrrole derivatives: inhibitors of the MDM2–p53 and MDMX–p53 protein–protein interactions
Tim J. Blackburn, Shafiq Ahmed, Christopher R. Coxon, Junfeng Liu, Xiaohong Lu, Bernard T. Golding, Roger J. Griffin, Claire Hutton, David R. Newell, Stephen Ojo, Anna F. Watson, Andrey Zaytzev, Yan Zhao, John Lunec and Ian R. Hardcastle
Med. Chem. Commun., 2013,4, 1297-1304
DOI: 10.1039/c3md00161j

Metabolism-guided drug design
Antonia F. Stepan, Vincent Mascitti, Kevin Beaumont and Amit S. Kalgutkar
Med. Chem. Commun., 2013,4, 631-652
DOI: 10.1039/c2md20317k

Synthesis and antiproliferative activity of some 3-(pyrid-2-yl)-pyrazolines
Alexander Ciupa, Paul A. De Bank, Mary F. Mahon, Pauline J. Wood and Lorenzo Caggiano
Med. Chem. Commun., 2013,4, 956-961
DOI: 10.1039/c3md00077j

Do you have any comments or thoughts on any of these articles? Please leave these in the comment box below!

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Please take a look at the top 10 most accessed articles MedChemComm articles for July, August and September. 

Minisci reactions: Versatile CH-functionalizations for medicinal chemists
Matthew A. J. Duncton
Med. Chem. Commun., 2011,2, 1135-1161
DOI: 10.1039/c1md00134e 

A critical assessment of modeling safety-related drug attrition
Daniel Muthas, Scott Boyer and Catrin Hasselgren
Med. Chem. Commun., 2013,4, 1058-1065
DOI: 10.1039/c3md00072a 

Metabolism-guided drug design
Antonia F. Stepan, Vincent Mascitti, Kevin Beaumont and Amit S. Kalgutkar
Med. Chem. Commun., 2013,4, 631-652
DOI: 10.1039/c2md20317k 

Silver nanoparticles—the real “silver bullet” in clinical medicine?
Kenneth K. Y. Wong and Xuelai Liu
Med. Chem. Commun., 2010,1, 125-131
DOI: 10.1039/c0md00069h 

Diaryl- and triaryl-pyrrole derivatives: inhibitors of the MDM2–p53 and MDMX–p53 protein–protein interactions
Tim J. Blackburn, Shafiq Ahmed, Christopher R. Coxon, Junfeng Liu, Xiaohong Lu, Bernard T. Golding, Roger J. Griffin, Claire Hutton, David R. Newell, Stephen Ojo, Anna F. Watson, Andrey Zaytzev, Yan Zhao, John Lunec and Ian R. Hardcastle   Med. Chem. Commun., 2013,4, 1297-1304
DOI: 10.1039/C3MD00161J 

Highlights from ASMC’13 – Advances in Synthetic and Medicinal Chemistry – May 5–8 2013, Moscow, Russia
Edmond Differding
Med. Chem. Commun., 2013,4, 1138-1144
DOI: 10.1039/c3md90017g 

Microwave-assisted synthesis of N-heterocycles in medicinal chemistry
Davide Garella, Emily Borretto, Antonella Di Stilo, Katia Martina, Giancarlo Cravotto and Pedro Cintas  
Med. Chem. Commun., 2013,4, 1323-1343
DOI: 10.1039/C3MD00152K 

Synthesis and antiproliferative activity of some 3-(pyrid-2-yl)-pyrazolines
Alexander Ciupa, Paul A. De Bank, Mary F. Mahon, Pauline J. Wood and Lorenzo Caggiano  
Med. Chem. Commun., 2013,4, 956-961
DOI: 10.1039/C3MD00077J 

Peptides: minimal drug surrogates to interrogate and interfere with protein function
A. Cruz-Migoni, N. Fuentes-Fernandez and T. H. Rabbitts
Med. Chem. Commun., 2013,4, 1218-1221
DOI: 10.1039/c3md00142c  

Chemical motifs that redox cycle and their associated toxicity
Payal Rana, Russell Naven, Arjun Narayanan, Yvonne Will and Lyn H. Jones
Med. Chem. Commun., 2013,4, 1175-1180
DOI: 10.1039/c3md00149k 

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Curious about which articles published in 2012 gathered most readership? Here are the Top 10 works your colleagues have been accessing most in MedChemComm:

The developability of heteroaromatic and heteroaliphatic rings – do some have a better pedigree as potential drug molecules than others?
Timothy J. Ritchie, Simon J. F. Macdonald, Simon Peace, Stephen D. Pickett and Christopher N. Luscombe
Med. Chem. Commun., 2012, 3, 1062-1069
DOI: 10.1039/C2MD20111A

Gd(III) chelates for MRI contrast agents: from high relaxivity to “smart”, from blood pool to blood–brain barrier permeable
Chang-Tong Yang and Kai-Hsiang Chuang
Med. Chem. Commun., 2012, 3, 552-565
DOI: 10.1039/C2MD00279E

The use of phosphate bioisosteres in medicinal chemistry and chemical biology
Thomas S. Elliott, Aine Slowey, Yulin Ye and Stuart J. Conway
Med. Chem. Commun., 2012, 3, 735-751
DOI: 10.1039/C2MD20079A

Development of second generation epigenetic agents
Philip Jones
Med. Chem. Commun., 2012, 3, 135-161
DOI: 10.1039/C1MD00199J

Small molecules DNA methyltransferases inhibitors
Nadine Martinet, Benoît Y. Michel, Philippe Bertrand and Rachid Benhida
Med. Chem. Commun., 2012, 3, 263-273
DOI: 10.1039/C1MD00194A

Inhibition of bromodomain-mediated protein–protein interactions as a novel therapeutic strategy
Silviya D. Furdas, Luca Carlino, Wolfgang Sippl and Manfred Jung
Med. Chem. Commun., 2012, 3, 123-134
DOI: 10.1039/C1MD00201E

Epigenetics—an emerging and highly promising source of new drug targets
Nessa Carey
Med. Chem. Commun., 2012, 3, 162-166
DOI: 10.1039/C1MD00264C

From the protein’s perspective: the benefits and challenges of protein structure-based pharmacophore modeling
Marijn P. A. Sanders, Ross McGuire, Luc Roumen, Iwan J. P. de Esch, Jacob de Vlieg, Jan P. G. Klomp and Chris de Graaf
Med. Chem. Commun., 2012, 3, 28-38
DOI: 10.1039/C1MD00210D

Inhibitors of Stat5 protein signalling
Abbarna A. Cumaraswamy, Aleksandra Todic, Diana Resetca, Mark D. Minden and Patrick T. Gunning
Med. Chem. Commun., 2012, 3, 22-27
DOI: 10.1039/C1MD00175B

Investigation of the effect of molecular properties on the binding kinetics of a ligand to its biological target
Duncan C. Miller, Graham Lunn, Peter Jones, Yogesh Sabnis, Nichola L. Davies and Paul Driscoll
Med. Chem. Commun., 2012, 3, 449-452
DOI: 10.1039/C2MD00270A

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