Archive for the ‘Conferences’ Category

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.

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MedChemComm at conferences in 2014

 

Dr Richard Kelly, Managing Editor

Dr Marie Cote, Deputy Editor

The  MedChemComm team will be attending a number of conferences in 2014 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:


GRC marine natural products 2-7 March Ventura, CA, USA – Meet Rich

Society of Toxicology annual meeting 23-27 March Phoenix, USA – Meet Marie

National Organic Symposium Trust 11-14 April Agra, India – Meet Rich

ISMSC-9 7-11 June Shanghai, China – Meet Marie

GRC Bioorganic Chemistry 8-13 June Proctor Academy, USA – Meet Rich

BOSS XIV 13-18 July Louvain-la-Neuve, Belgium – Meet Marie

Fall ACS meeting 10-14 August San Francisco, USA – Meet Rich

Gregynog Young Chemists’ Workshop 10-12 September Gregynog, Wales – Meet Marie

EFMC-ISMC 7-10 September Lisbon, Portugal – Meet Rich

Eurotox 7-9 September Edinburgh, UK – Meet Marie

Let us know if you are planning on attending any of these meetings, as we would be happy to meet you there!

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A Focus On Computer-Aided Drug Discovery

A recent workshop on the role of computer aided drug discovery was jointly held by the Royal Society of Chemistry and the Biochemical Society with the aim of aiding collaborations between biological scientists and computational chemists.

Following this workshop we have brought together a collection of articles and books that highlight recent research on computer-aided drug discovery and related areas. Below is a slection from across the Royal Society of Chemistry and you can also find a collection of articles from the Biochemical Society HERE…

All of the Communications, Papers and Reviews below are free to access until 7 February 2014.

Books
(PDFs of the front matter, table of contents and first chapter are free to view.)

Drug Design Strategies: Quantitative ApproachesPhysico-Chemical and Computational Approaches to Drug Discovery
Editors: Javier Luque, Xavier Barril

Drug Design Strategies
Editors: David J Livingstone, Andrew M Davis

Innovations in Biomolecular Modeling and Simulations: Volume 2:

Chapter 11 – Structure-based Design Technology CONTOUR and its Application to Drug Discovery
Zhijie Liu, Peter Lindblom, David A. Claremon and Suresh B. Singh

Chapter 12 – Molecular Simulation in Computer-aided Drug Design: Algorithms and Applications
Robert V. Swift and Rommie E. Amaro

Chapter 13– Computer-aided Drug Discovery: Two Antiviral Drugs for HIV/AIDS
J. Andrew McCammon

G Protein-Coupled Receptors: From Structure to Function:

Chapter 18 – Structure-based Virtual Screening for Ligands of G Protein-coupled Receptors
Stefano Costanzi

Reviews

Informatic strategies for the discovery of polyketides and nonribosomal peptides
Chad Johnston, Ashraf Ibrahim and Nathan Magarvey
Med. Chem. Commun., 2012, DOI: 10.1039/C2MD20120H, Review Article

Molecular docking for virtual screening of natural product databases
Dik-Lung Ma, Daniel Shiu-Hin Chan and Chung-Hang Leung
Chem. Sci., 2011, DOI: 10.1039/C1SC00152C, Minireview

Approaches to discover non-ATP site kinase inhibitors
Lori Krim Gavrin and Eddine Saiah
Med. Chem. Commun., 2013, DOI: 10.1039/C2MD20180A, Review Article

Drug repositioning by structure-based virtual screening
Dik-Lung Ma, Daniel Shiu-Hin Chan and Chung-Hang Leung
Chem. Soc. Rev., 2013, DOI: 10.1039/C2CS35357A, Review Article

Selective inhibition of the unfolded protein response: targeting catalytic sites for Schiff base modification
Susana M. Tomasio, Heather P. Harding, David Ron, Benedict C. S. Cross and Peter J. Bond
Mol. BioSyst., 2013, DOI: 10.1039/C3MB70234K, Review Article

Network-based drug repositioning
Zikai Wu, Yong Wang and Luonan Chen
Mol. BioSyst., 2013, DOI: 10.1039/C3MB25382A, Review Article


Communications and Papers

Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein–protein interactions
Philipp Thiel, Lars Röglin, Nicole Meissner, Sven Hennig, Oliver Kohlbacher and Christian Ottmann
Chem. Commun., 2013, DOI: 10.1039/C3CC44612C, Communication

Plugging the explicit σ-holes in molecular docking
Michal Kolář, Pavel Hobza and Agnieszka K. Bronowska
Chem. Commun., 2013, DOI: 10.1039/C2CC37584B, Communication

Fragments to link. A multiple docking strategy for second site binders
Márton Vass and György M. Keserű
Med. Chem. Commun., 2013, DOI: 10.1039/C2MD20267K, Concise Article

A rapid identification of hit molecules for target proteins via physico-chemical descriptors
Goutam Mukherjee and B. Jayaram
Phys. Chem. Chem. Phys., 2013, DOI: 10.1039/C3CP44697B, Paper

Discovery of novel inhibitors for human farnesyltransferase (hFTase) via structure-based virtual screening
Xiaojuan Yu, Xue Zhao, Lili Zhu, Chuanxin Zou, Xiaofeng Liu, Zhenjiang Zhao, Jin Huang and Honglin Li
Med. Chem. Commun., 2013,DOI: 10.1039/C3MD00058C, Concise Article

Prediction of chemical–protein interactions: multitarget-QSAR versus computational chemogenomic methods
Feixiong Cheng, Yadi Zhou, Jie Li, Weihua Li, Guixia Liu and Yun Tang
Mol. BioSyst., 2012, DOI: 10.1039/C2MB25110H, Paper

Identification of novel inhibitors of p53–MDM2 interaction facilitated by pharmacophore-based virtual screening combining molecular docking strategy
Weisi Wang, Xiaolei Zhu, Xueqin Hong, Lin Zheng, Hong Zhu and Yongzhou Hu
Med. Chem. Commun., 2013, DOI: 10.1039/C2MD20208E, Concise Article

Predicting cancer drug mechanisms of action using molecular network signatures
Justin R. Pritchard, Peter M. Bruno, Michael T. Hemann and Douglas A. Lauffenburger
Mol. BioSyst., 2013, DOI: 10.1039/C2MB25459J, Paper

Prospective use of molecular field points in ligand-based virtual screening: efficient identification of new reversible Cdc25 inhibitors
James C. Collins, Alan Armstrong, Kathryn L. Chapman, Hayley C. Cordingley, Albert A. Jaxa-Chamiec, Katie E. Judd, David J. Mann, Katherine A. Scott, Catherine J. Tralau-Stewart and Caroline M. R. Low
Med. Chem. Commun., 2013, DOI: 10.1039/C3MD00047H, Concise Article

Discovery of Rho-kinase inhibitors by docking-based virtual screening
Mingyun Shen, Huidong Yu, Youyong Li, Pixu Li, Peichen Pan, Shunye Zhou, Liling Zhang, Shang Li, Simon Ming-Yuen Lee and Tingjun Hou
Mol. BioSyst., 2013, DOI: 10.1039/C3MB00016H, Paper

Prediction of adverse drug reactions by a network based external link prediction method
Jiao Lin, Qifan Kuang, Yizhou Li, Yongqing Zhang, Jing Sun, Zhanling Ding and Menglong Li
Anal. Methods, 2013, DOI: 10.1039/C3AY41290C, Paper

Targeting the inactive conformation of protein kinases: computational screening based on ligand conformation
Pascal Bonnet, Daniel Mucs and Richard A. Bryce
Med. Chem. Commun., 2012, DOI: 10.1039/C1MD00256B, Concise Article

Structure-oriented bioinformatic approach exploring histidine-rich clusters in proteins
Shujian Cun, Yau-Tsz Lai, Yuen-Yan Chang and Hongzhe Sun
Metallomics, 2013, DOI: 10.1039/C3MT00026E, Concise Article

Rational design of small modified peptides as ACE inhibitors
Daniel G. Silva, Matheus P. Freitas, Elaine F. F. da Cunha, Teodorico C. Ramalho and Cleiton A. Nunes
Med. Chem. Commun., 2012, DOI: 10.1039/C2MD20214J, Concise Article

Development of a novel class of B-RafV600E-selective inhibitors through virtual screening and hierarchical hit optimization
Xiangqian Kong, Jie Qin, Zeng Li, Adina Vultur, Linjiang Tong, Enguang Feng, Geena Rajan, Shien Liu, Junyan Lu, Zhongjie Liang, Mingyue Zheng, Weiliang Zhu, Hualiang Jiang, Meenhard Herlyn, Hong Liu, Ronen Marmorstein and Cheng Luo
Org. Biomol. Chem., 2012, DOI: 10.1039/C2OB26081F, Paper

Computational design of a thermostable mutant of cocaine esterase via molecular dynamics simulations
Xiaoqin Huang, Daquan Gao and Chang-Guo Zhan
Org. Biomol. Chem., 2011, DOI: 10.1039/C0OB00972E, Paper

Structure determinants of indolin-2-on-3-spirothiazolidinones as MptpB inhibitors: An in silico study
Yinfeng Yang, Jinghui Wang, Yan Li, Wei Xiao, Zhenzhong Wang, Jingxiao Zhang, Weimin Gao, Shuwei Zhang and Ling Yang
Soft Matter, 2013, DOI: 10.1039/C3SM51995C, Paper

Synthesis of novel PPARα/γ dual agonists as potential drugs for the treatment of the metabolic syndrome and diabetes type II designed using a new de novo design program PROTOBUILD
Yushma Bhurruth-Alcor, Therese Røst, Michael R. Jorgensen, Christos Kontogiorgis, Jon Skorve, Robert G. Cooper, Joseph M. Sheridan, William D. O. Hamilton, Jonathan R. Heal, Rolf K. Berge and Andrew D. Miller
Org. Biomol. Chem., 2011, DOI: 10.1039/C0OB00146E, Paper

Anticancer loading and controlled release of novel water-compatible magnetic nanomaterials as drug delivery agents, coupled to a computational modeling approach
Pierre Dramou, Pengli Zuo, Hua He, Lien Ai Pham-Huy, Wenyue Zou, Deli Xiao, Chuong Pham-Huy and Theophilus Ndorbor
J. Mater. Chem. B, 2013, DOI: 10.1039/C3TB20502A, Paper

An NMR crystallography DFT-D approach to analyse the role of intermolecular hydrogen bonding and π–π interactions in driving cocrystallisation of indomethacin and nicotinamide
Dmytro V. Dudenko, Jonathan R. Yates, Kenneth D. M. Harris and Steven P. Brown
CrystEngComm, 2013, DOI: 10.1039/C3CE41240G, Paper

Modelling the possible bioactivity of ellagitannin-derived metabolites. In silico tools to evaluate their potential xenoestrogenic behavior
Luca Dellafiora, Pedro Mena, Pietro Cozzini, Furio Brighenti and Daniele Del Rio
Food Funct., 2013,4, DOI: 10.1039/C3FO60117J, Paper

Towards ab initio screening of co-crystal formation through lattice energy calculations and crystal structure prediction of nicotinamide, isonicotinamide, picolinamide and paracetamol multi-component crystals
H. C. Stephen Chan, John Kendrick, Marcus A. Neumann and Frank J. J. Leusen
CrystEngComm, 2013, DOI: 10.1039/C3CE40107C, Paper

You may also be interested in the upcoming Faraday Discussion on Molecular Simulations and Visualization in 2014 – Find out more here…

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4th CPA-RSC Symposium on Medicinal Chemistry: Epigenetics as Targets for Drug Discovery

The RSC is jointly hosting a Medicinal Chemistry symposia on epigenetics as targets for drug discovery, comprising of two events:

4th CPA-RSC Symposium on Medicinal Chemistry: Epigenetics as Targets for Drug Discovery
Shandong University, Jinan, 2-3 November 2013

RSC International symposium on Epigenetics
Shanghai Institute of Materia Medica, 5 November 2013

The symposia will focus on epigenetics as targets for drug discovery, including trends and frontiers in epigenetics and histone modulators. It will feature a mix of high-profile international speakers and Chinese speakers from both academia and industry.

4th CPA-RSC Symposium on Medicinal Chemistry: Epigenetics as Targets for Drug Discovery:

The 2013 Chinese Medicinal Chemistry Symposium (CMCS) and the 4th CPA-RSC Symposium on Medicinal Chemistry: Epigenetics as Targets for Drug Discovery will be held from November 2 to 3, 2013 in Jinan, China. It is co-sponsored by Medicinal Chemistry Professional Committee of Chinese Pharmaceutical Association and Royal Society of Chemistry, and organized by Shandong University.

The symposium aims to provide a platform for medicinal chemists to exchange research information, discuss challenges, promote collaboration, and facilitate the transfer of new technologies. This symposium will showcase cutting-edge and complementary medicinal chemistry approaches ranging from complex natural products to small molecule fragments

Speakers include:

  • Chun-Wa Chung, GlaxoSmithKline, Stevenage, UK
  • Paul BrennanSGC Oxford, UK
  • Qi JunHarvard Medical School, USA
  • Paul Thompson, Scripps Research Institute, Florida, USA
  • Erik De Clerq, Katholieke Universiteit Leuven, Belgium
  • Luo ChengShanghai Institute of Materia Medica, China
  • Lu Xianping, Chipscreen Biosciences Ltd, China
  • Y. George Zheng, University of Georgia, USA
  • Zhang Mingqiang, Regional Associate Editor MedChemComm and VP Amgen, Shanghai, China
  • Hao Fang, Shandong University, China
  • David James, Royal Society of Chemistry, UK

RSC International symposium on Epigenetics:

This event will be hosted by Professor Jingkang Shen. If you are interested in attending this event, please email Dr Qingqing Qi with your contact details and email address.

Speakers include:

  • Chun-Wa ChungGlaxoSmithKline, Stevenage, UK
  • Paul BrennanSGC Oxford, UK
  • Qi JunHarvard Medical School, USA
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RSC Organic Division Poster Symposium: Deadline for poster abstracts 02 October 2013

RSC Organic Division Poster Symposium: Deadline for poster abstracts 02 October 2013

The RSC Organic Division Poster Symposium is still accepting abstracts, but not for long. If you are a final year PhD student based in the UK/ROI and would like the opportunity to showcase your work to leading chemists in industry and academia, as well as your peers, make sure you submit your poster abstract by Wednesday 2nd October.

The symposium will take place on Monday 2nd December 2013, at The Chemistry Centre, Burlington House, London and there are several prizes available on the day. Alongside the £500 First Prize, there will also be a £500 “Selected by Industry” prize and two runners-up prizes of £250. And this year our headline sponsor,  F. Hoffmann-La Roche are offering a further prize of a visit to their site in Basel, Switzerland, to the First and Industry prize winners.

Reasonable travel costs will be covered for the students who are selected to present at this meeting. If you would like to find out more about the symposium and submit an abstract, visit our symposium website

We would like to thank F. Hoffmann-La Roche, Ltd. for their generous support of this event.

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Chemical and Biological Therapeutic Approaches to Neurological Disorders II

There’s still time to register for the second one-day symposium on Chemical and Biological Therapeutic Approaches to Neurological Disorders, on Monday 23rd September. The meeting will feature presentations and posters, from leading experts in academia and industry, about new developments in genetics, biochemistry, pathophysiology and medicinal chemistry relating to neurological disorders. A wide range of conditions will be discussed, including Alzheimer’s disease, epilepsy, schizophrenia, multiple sclerosis and Parkinson’s disease.

Neurological disorders are an increasingly important global public health problem, and the cause of much long-term suffering and disability.  Currently available pharmaceuticals have been ineffective in curing many of these disorders and developing a deeper understanding of the nervous system is one of the major challenges facing scientists in the 21st century. New research will hopefully contribute to the identification of better clinical biomarkers and medicines for diagnosis, monitoring and treatment of neurological disorders.

This one day symposium has been organised by the RSC’s Biotechnology Group with support from the Chemistry Biology Interface Division, and will be held at The Chemistry Centre, Burlington House, London. Speakers include:

Prof. Christopher Dobson, University of Cambridge
Prof. Ciaran Regan, University College Dublin
Prof. Lennart Bunch, University of Copenhagen
Prof. Peter Jenner, King’s College London
Prof. Stefan Przyborski, University of Durham
Dr. Jan Kehler, H. Lundbeck, A/S
Prof. Jonathan Corcoran, University College Dublin
Dr. Jan Passchier, Imanova Ltd.

If you would like to attend, please register here.

If you would like to find out more about this event, more information can be found on the RSC website.

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Tools and Strategies to Find Chemical Probes for Your Protein – The Role of Computer-Aided Drug Discovery

You are invited to attend a joint Biochemical Society/Royal Society of Chemistry Workshop entitled Tools and Strategies to Find Chemical Probes for Your Protein – The Role of Computer-Aided Drug Discovery.

15 November 2013
Charles Darwin House, London, WC1N 2JU, UK

Application and Abstract deadline: 16 September 2013

This workshop aims to bring together biological scientists and computational chemists to discuss research challenges and facilitate collaborations. The workshop will be of particular interest to biological scientists who require new chemical reagents to help them to better understand biological mechanisms and to computational chemists who wish to apply computational ligand discovery methods to a biological problem. Please feel free to pass this message onto colleagues at your institution who may have interest in attending the workshop. The programme will feature oral presentations, flash poster presentations and discussion sessions. There will also be plenty of networking opportunities dispersed throughout the day.

Speakers and Facilitators:

  • Pedro Ballister, European Bioinformatics Institute, Cambridge, UK
  • Chas Bountra, University of Oxford, UK 
  • Ruth Brenk, Johannes Gutenberg University Mainz, Germany
  • David Brown, University of Kent, UK  
  • Grant Churchill, University of Oxford, UK
  • John Irwin, University of California, USA
  • Paul Hawkins OpenEye Scientific Software, UK
  • Taufiq Rahman, University of Cambridge, UK
  • Dahlia Weiss, Heptares Therapeutics UK 

Organising Committee

  • Grant Churchill, University of Oxford, UK
  • Taufiq Rahman, University of Cambridge, UK
  • John Irwin, University of California, USA
  • David Brown, University of Kent, UK

Attendance is by application only and will be FREE of charge for Biochemical Society and Royal Society of Chemistry members. Delegates are encouraged to submit poster abstracts for flash and poster presentation. This workshop is the fourth of a series entitled “Analytical Tools for the Life Sciences”, a collaborative project between the Biochemical Society and Royal Society of Chemistry.

For more information please visit the event webpage.

Don’t miss out! Application and Abstract deadline is the 16 September 2013.

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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

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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.

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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!   

     

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