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What are your colleagues reading in MedChemComm?

The articles below are some of the most read MedChemComm articles in April, May and June 2017.

Review Articles:

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

Surface plasmon resonance for the characterization of bacterial polysaccharide antigens: a review
Barbara Brogioni and Francesco Berti
DOI: 10.1039/C4MD00088A

Recent advances in the rational design and optimization of antibacterial agents
Jesse A. Jones, Kristopher G. Virga, Giuseppe Gumina and Kirk E. Hevener
DOI: 10.1039/C6MD00232C

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

Protein–ligand (un)binding kinetics as a new paradigm for drug discovery at the crossroad between experiments and modelling
M. Bernetti, A. Cavalli and L. Mollica
DOI: 10.1039/C6MD00581K

Structural biology and chemistry of protein arginine methyltransferases
Matthieu Schapira and Renato Ferreira de Freitas
DOI: 10.1039/C4MD00269E

Small molecule-mediated protein knockdown as a new approach to drug discovery
Christopher P. Tinworth, Hannah Lithgow and Ian Churcher
DOI: 10.1039/C6MD00347H

Chemical probes and inhibitors of bromodomains outside the BET family
Moses Moustakim, Peter G. K. Clark, Duncan A. Hay, Darren J. Dixon and Paul E. Brennan
DOI: 10.1039/C6MD00373G

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

2-[18F]Fluoroethyl tosylate – a versatile tool for building 18F-based radiotracers for positron emission tomography
Torsten Kniess, Markus Laube, Peter Brust and Jörg Steinbach
DOI: 10.1039/C5MD00303B

Structural features of many circular and leaderless bacteriocins are similar to those in saposins and saposin-like peptides
K. M. Towle and J. C. Vederas
DOI: 10.1039/C6MD00607H

Bacterial lipid membranes as promising targets to fight antimicrobial resistance, molecular foundations and illustration through the renewal of aminoglycoside antibiotics and emergence of amphiphilic aminoglycosides
Marie-Paule Mingeot-Leclercq and Jean-Luc Décout
DOI: 10.1039/C5MD00503E

Research Articles:

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

Design and synthesis of DNA-encoded libraries based on a benzodiazepine and a pyrazolopyrimidine scaffold
M. Klika Škopić, O. Bugain, K. Jung, S. Onstein, S. Brandherm, T. Kalliokoski and A. Brunschweiger
DOI: 10.1039/C6MD00243A

Methods of protein surface PEGylation under structure preservation for the emulsion-based formation of stable nanoparticles
Lydia Radi, Matthias Fach, Mirko Montigny, Elena Berger-Nicoletti, Wolfgang Tremel and Peter R. Wich
DOI: 10.1039/C5MD00475F

Identification of imidazo[1,2-b]pyridazine TYK2 pseudokinase ligands as potent and selective allosteric inhibitors of TYK2 signalling
R. Moslin, D. Gardner, J. Santella, Y. Zhang, J. V. Duncia, C. Liu, J. Lin, J. S. Tokarski, J. Strnad, D. Pedicord, J. Chen, Y. Blat, A. Zupa-Fernandez, L. Cheng, H. Sun, C. Chaudhry, C. Huang, C. D’Arienzo, J. S. Sack, J. K. Muckelbauer, C. Chang, J. Tredup, D. Xie, N. Aranibar, J. R. Burke, P. H. Carter and D. S. Weinstein
DOI: 10.1039/C6MD00560H

Exploring the links between peptoid antibacterial activity and toxicity
H. L. Bolt, G. A. Eggimann, C. A. B. Jahoda, R. N. Zuckermann, G. J. Sharples and S. L. Cobb
DOI: 10.1039/C6MD00648E

Nonomuraea sp. ATCC 55076 harbours the largest actinomycete chromosome to date and the kistamicin biosynthetic gene cluster
Behnam Nazari, Clarissa C. Forneris, Marcus I. Gibson, Kyuho Moon, Kelsey R. Schramma and Mohammad R. Seyedsayamdost
DOI: 10.1039/C6MD00637J

Structure-based virtual screening for fragment-like ligands of the G protein-coupled histamine H4 receptor
Enade P. Istyastono, Albert J. Kooistra, Henry F. Vischer, Martien Kuijer, Luc Roumen, Saskia Nijmeijer, Rogier A. Smits, Iwan J. P. de Esch, Rob Leurs and Chris de Graaf
DOI: 10.1039/C5MD00022J

Human lysosomal acid lipase inhibitor lalistat impairs Mycobacterium tuberculosis growth by targeting bacterial hydrolases
J. Lehmann, J. Vomacka, K. Esser, M. Nodwell, K. Kolbe, P. Rämer, U. Protzer, N. Reiling and S. A. Sieber
DOI: 10.1039/C6MD00231E

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

A fundamental view of enthalpy–entropy compensation
Ulf Ryde
DOI: 10.1039/C4MD00057A

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

From linked open data to molecular interaction: studying selectivity trends for ligands of the human serotonin and dopamine transporter
Barbara Zdrazil, Eva Hellsberg, Michael Viereck and Gerhard F. Ecker
DOI: 10.1039/C6MD00207B

Keep up-to-date with the latest issues of MedChemComm with our E-alerts

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Medicinal Chemistry Toolkit app v2.0 now released

FREE Medicinal Chemistry Toolkit App

Easy to access functions – anytime, anywhere

The Medicinal Chemistry Toolkit App, compatible with iOS devices and optimised for iPad, provides a suite of resources to support the day to day work of a medicinal chemist.

Search the App store forMedicinal Chemistry Toolkit.”

Functions include:
  • Cheng-Prusoff calculator
  • Dose to man calculator
  • Gibbs free energy to binding constant calculator
  • Maximum absorbable dose calculator
  • Potency shift due to plasma protein binding calculator
  • LogD vs pH curves
  • Attrition modeller
  • Drug-drug interaction modeller

Exciting new functionality recently released in v2.0 allows you to draw your own structures and provides direct feedback on  the quality or drug-like nature of your compound and calculates pharmacologically relevant properties (GClogP, ligand efficiency).

The Handbook of Medicinal Chemistry

The app has been designed in collaboration with the editors of The Handbook of Medicinal Chemistry: Principles and Practice, which was published in December 2014 providing a comprehensive, everyday resource for a practicing medicinal chemist throughout the drug development process.

Price: £84.99 – RSC Members receive 35% discount!

Order Now.

Print ISBN: 978-1-84973-625-1

Pages:  788

  • Comprehensive and up-to-date information covering the entire drug development process.
  • Written and edited by experts from academia and industry.
  • Case studies with hints and tips from within the industry allow medicinal chemists to apply academic understanding to drug discovery.

Coming Soon:  interactive electronic format

The Handbook will be published online to allow greater linking to relevant resources. Per chapter download from our publication platform containing additional features, such as links to protein and chemical structures, interactive graphs and downloadable project management templates, will be available soon.

  • PDF eISBN: 978-1-78262-183-6
  • EPUB eISBN: 978-1-78262-419-6
  • DOI: 10.1039/9781782621836
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What are your colleagues reading in MedChemComm?

The articles below are the most read MedChemComm articles in July, August and September 2014.

Conformational analysis of peramivir reveals critical differences between free and enzyme-bound states
Michele R. Richards, Michael G. Brant, Martin J. Boulanger, Christopher W. Cairo and Jeremy E. Wulff 
DOI: 10.1039/C4MD00168K

A critical assessment of modeling safety-related drug attrition
Daniel Muthas, Scott Boyer and Catrin Hasselgren 
DOI: 10.1039/C3MD00072A

Identification of 2,4-diamino-6,7-dimethoxyquinoline derivatives as G9a inhibitors
Nitipol Srimongkolpithak, Sandeep Sundriyal, Fengling Li, Masoud Vedadi and Matthew J. Fuchter  
DOI: 10.1039/C4MD00274A

Synthesis of α-brominated phosphonates and their application as phosphate bioisosteres
A. Michael Downey and Christopher W. Cairo  
DOI: 10.1039/C4MD00255E

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)triphenylphosphonium 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

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

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

Anaplastic lymphoma kinase (ALK) inhibitors: a review of design and discovery
Wen-Chieh Wang, Hui-Yi Shiao, Chieh-Chien Lee, Ka-Shu Fung and Hsing-Pang Hsieh  
DOI: 10.1039/C4MD00048J

Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain
Apirat Chaikuad, Andrew M. Petros, Oleg Fedorov, Jing Xu and Stefan Knapp  
DOI: 10.1039/C4MD00237G

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