Author Archive

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
Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

Overcoming the Bottlenecks in Drug Discovery and Development

Overcoming the Bottlenecks in Drug Discovery and Development
20-21 March 2014
DSIN-Ranbaxy, Gurgaon, India
http://rsc.li/rsc-dsin

  • Poster abstract deadline – Coming soon, Saturday 15 February 2014!
  • Registration deadline – 01 March 20014

Our next medicinal chemistry conference titled Overcoming the Bottlenecks in Drug Discovery and Development will be held in Gurgaon, India from 20-21 March 2014. This conference is co-organised by the Royal Society of Chemistry (RSC), Daiichi Sankyo India Pharma Private Limited (DSIN) and Ranbaxy Laboratories Limited (RLL). Join  academics and industrialists from across the globe for this innovative event which will explore the current obstacles in modern drug discovery and showcase the scientific advances being used to overcome these challenges. Find out more about the speakers and programme.

We would like to take this opportunity to encourage you to submit a poster to present your work at the conference. Abstracts are invited within any of the following themes:
• Biological target identification
• Chemical hit identification
• Pharmaceutical research
• Chemical hit-to-lead optimization
Posters will be displayed throughout the meeting and a select number of poster presenters will be invited to present their research during the short oral poster session (5 minutes per presentation) which will be held on the 21 March 2014.

To register and for further information, please visit the conference webpage.

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

Take 1.. minute for chemistry in health

Take 1.. minute for chemistry in health

Do you know how chemical scientists can tackle global challenges in Human Health? If so, the RSC is running a one minute video competition this summer for young researchers such as PhD and Post-doc students; get involved and innovate the way scientists share their research. Your video should communicate your own personal research or an area of research that interests you, highlighting its significance and impact to Human Health.

Five videos will be shortlisted by our judging panel and the winner will be selected during the ‘How does chemistry keep us healthy?’ themed National Chemistry Week taking place 16-23 November.

A £500 prize and a fantastic opportunity to shadow the award winning video Journalist, Brady Harran, is up for grabs for the winner.

The judging panel will include the makers of The Periodic Tale of Videos, Martyn Poliakoff and Brady Harran, and RSC Division representatives.

Check out our webpage for further details of the competition and an example video.

The competition opened on 02 April 2013 and the closing date for entries is 01 July 2013. Please submit yours to rsc.li/take-1-video-competition.

The winner will be chosen and announced during National Chemistry week, 11-16 November 2013

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

Medicinal Chemistry Residential School – 17-21 June 2013, Loughborough University, UK

We are delighted to announce that the RSC Medicinal Chemistry Residential School, which has trained some of the world’s leading medicinal chemists in the pharmaceutical industry over the past thirty years, will return this summer.

Highly valued by the community, this intensive course aims to aid the transition from synthetic chemistry to medicinal chemistry and will explore current understanding of the factors governing modern drug discovery.

If you are a graduate or post-doctoral chemist with 1-5 years’ experience in the field of drug research or a final year PhD student in pharmacy and organic chemistry contemplating a career in medicinal chemistry, be sure to secure your place today.

For full details about the RSC Medicinal Chemistry Residential School, please visit the dedicated webpage.

Medicinal Chemistry Residential School – 17-21 June 2013, Loughborough University, UK

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

Spinks Symposium on Regenerative Medicine: last chance to register

Spinks Symposium
Regenerative Medicine
28 January 2013
The Chemistry Centre, Burlington House, London
http://rsc.li/spinks-2013

 

Registration deadline – Friday 18th January 2013

This is your last chance to attend the 2013 Spinks Symposium: Regenerative Medicine as registration closes in just one week. Join us for this stimulating event which will:

  • explore the critical issues that underpin developments in regenerative medicine
  • provide a clear understanding of the challenges involved in translating research outputs into application
  • focus on how medicinal chemistry/chemical biology research might provide a springboard to therapeutic development

Who will be there?
The 2013 Spinks symposium will bring together researchers from industry, academia and the wider medical sciences sectors for a range of inspiring presentations, case studies and discussion groups delivered by the following speakers:

  • Dr Alex Alanine, F.Hoffmann-La Roche
  • Dr Lilian Hook, Plasticell
  • Professor Chris Mason, University College London
  • Dr Angela Russell, University of Oxford
  • Dr Dennis Schade, TU Dortmund
  • Dr Paul Whiting, Pfizer Neusentis

 How do I register?
Secure you place using our quick and simple online booking system and don’t forget registration closes on Friday 18th January 2013. For further details on the 2013 Spinks Symposium: Regenerative Medicine, please visit the dedicated webpage.

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

Meet the MedChemComm Editorial team – see where and when you can meet us in 2013

The MedChemComm Editorial team will be attending a number of conferences in 2013 and we would be delighted to meet you there.  

We’re also the team behind MedChemComm’s sister journals Organic & Biomolecular Chemistry, Natural Product Reports, and the latest addition to the portfolio, Toxicology Research, so we’ll happily discuss your interdisciplinary research work. In fact, many of our authors choose to publish their research across all of these titles.    

Here are just some of the conferences where you can meet us in the coming months:  

RSC India Roadshow, visiting Kolkata, Pune and Bangalore – 5-11 February 2013, India – View the full details, including the confirmed speakers’ list– Meet Richard
Society of Toxicology’s 52nd Annual Meeting –10-14 March 2013, San Antonio, Texas, USA – Meet Marie
40th Lakeland Heterocyclic meeting – 9-13 May 2013, Grasmere, UK – Meet Marie
Frontiers in Medicinal Chemistry (EFMC) – 23-26 June 2013, San Francisco, USA – Meet Richard
8-ISMSC (International Symposium on Macrocyclic and Supramolecular Chemistry) – 07-11 July 2013, Washington DC, USA – Meet Richard
ESOC 2013 (8th European Symposium on Organic Chemistry) – 08-12 July 2013, Marseille, France – Meet Marie
OMCOS 17 (IUPAC Conference on Organometallic Chemistry Towards Organic Synthesis)- 28 July to 01 August 2013, Fort Collins, USA – Meet Marie
EUROTOX 2013– 01-04 September 2013, Interlaken, Switzerland – Meet Marie
Fall ACS meeting– 08-12 September 2013, Indianapolis, USA – Meet Richard
Asian Medicinal Chemistry Conference – October 2013, Taipei, Taiwan – Meet Richard
15th BMOS – Brazilian Meeting on Organic Synthesis, 10-13 November 2013, Campos do Jordão, Brazil – Meet Richard    

Let us know if you are planning on attending any of these meetings, as it would be lovely to see you there!   

     

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

Drug discovery: on the origins of drug polypharmacology – a review

‘The ability of many drugs, unintended most often, to interact with multiple proteins is commonly referred to as polypharmacology. Could this be a reminiscent chemical signature of early protein evolution?’ asks Jordi Mestres.

In this review article, Xavier Jalencas and Jordi Mestres (Chemogenomics Laboratory, Hospital del Mar Research Institute, Barcelona) explore the origins of drug polypharmacology and provide clues as to why most drugs hit multiple targets. Covering both the chemical (including molecular properties and fragment composition of the drug themselves) and the biological sources of polypharmacology (describing target phylogeny and binding site similarity), the article also provides some direct key implications of polypharmacology for drug discovery, while questioning whether this multitarget ability could have come from adaptative mechanisms…

Take this fascinating journey and read the full review today!

On the origins of drug polypharmacology
Xavier Jalencas and Jordi Mestres
Med. Chem. Commun, 2013, Advance Article
DOI:10.1039/C2MD20242E

This article is part of MedChemComm’s New Talent themed issue

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

Spinks Symposium 2013: Regenerative Medicine

 28 January 2013 

Chemistry Centre, Burlington House, London

The therapeutic promise of regenerative medicine, as a way to restore aging or damaged tissues and organs, is one of the most exciting areas of medicines research. With the proportion of older people increasing, degenerative and chronic diseases are a major challenge. To move forward, the chemical sciences have a vital role to play in understanding

  • disease mechanisms
  • signalling of stem cells
  • cellular differentiation
  • new methodologies for surface modification

The 2013 Spinks Symposium will explore the critical issues that underpin developments in regenerative medicine and provide a clear understanding of the challenges involved in translating research outputs into application. Particular emphasis will be put on how medicinal chemistry/chemical biology research might provide a springboard to therapeutic development. Researchers from industry, academia and the wider health sciences sectors will join together for this stimulating workshop, including oral presentations discussion groups, flash presentations and a comprehensive poster session.

How can I get involved?

  • Abstracts for the poster programme are now invited. Take full advantage of this exceptional opportunity to present your work and submit before Friday 21st December.
  • Registration is also open and if you would like to benefit from the early bird rates be sure to secure your place before Friday 21st December
Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

Type III secretion systems inhibitors – an updated comprehensive review

Howard C. Hang (The Rockefeller University) et al.‘s review article reflects the latest updates on Type III secretion systems (T3SSs) inhibitors. ‘T3SSs are central to the virulence of many human Gram-negative pathogens such as Salmonella, Shigella, Pseudomonas, enteropathogenic Escherichia coli (EPEC), enterohemorrhagic E. coli,(EHEC), Vibrio, Yersinia, and Chlamydia’ explains Hang, and are exciting targets for anti-bacterial development.

The article not only provides the reader with a comprehensive view of the severall classes of small molecules that inhibit the secretion and translocation of bacterial effector proteins, their mode of action and prospects for clinical development, but also brings insights into the different methods developed to allow the screening of very large libraries of molecules.

A must-read for anyone interested in bacterial virulence and small molecule inhibitors.

Small molecules aimed at type III secretion systems to inhibit bacterial virulence
Lun K. Tsou, Paul D. Dossa and Howard C. Hang
Med. Chem. Commun., 2012, DOI: 10.1039/C2MD20213A

This review is part of MedChemComm’s New Talent themed issue:

Highlighting medicinal chemistry research in its broadest sense and showcasing the strength of research being carried out by tomorrow’s leaders in the field: view the collection grow

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

Understanding the stereochemistry of polyketide biosynthesis

Complex polyketides are a pharmaceutically important group of natural product compounds which present an elaborate stereochemistry, set up  by ketoreductase enzymes that can control the the orientation of the substituents during polyketide biosynthesis. 

One of the challenges ahead is the reliable engineering of modular polyketide synthases to produce new polyketides for drug development.

In this review, Jianting Zheng and Adrian Keatinge-Clay present a summary of the recent advances in understanding the stereocontrol of ketoreductases in modular polyketide synthases from biochemical, engineering and structural studies, providing a critical view on the mechanisms of ketoreductase stereocontrol. This timely review covers a number of outstanding questions surrounding their selectivity, activity, and engineering potential.

Curious? Why not read it now:

The status of type I polyketide synthase ketoreductases
Jianting Zheng and Adrian T. Keatinge-Clay
Med. Chem. Commun., 2012, Advance Article
DOI:10.1039/C2MD20191G, Review Article
From collection New Talent

This review is part of MedChemComm’s New Talent themed issue

Highlighting medicinal chemistry research in its broadest sense and showcasing the strength of research being carried out by tomorrow’s leaders in the field: view the collection grow

Interested in the Structural Aspects of Biosynthesis?

Why not view our sister journal Natural Product Reportsthemed issue on the topic.
Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)