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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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