OSIRIS Property Explorer
29/10/11 09:15
I recently came across a website that may be of interest,
The OSIRIS Property Explorer shown in this page is an integral part of Actelion's (1) inhouse substance registration system. It lets you draw chemical structures and calculates on-the-fly various drug-relevant properties whenever a structure is valid. Prediction results are valued and color coded. Properties with high risks of undesired effects like mutagenicity or a poor intestinal absorption are shown in red. Whereas a green color indicates drug-conform behaviour.
The OSIRIS Property Explorer shown in this page is an integral part of Actelion's (1) inhouse substance registration system. It lets you draw chemical structures and calculates on-the-fly various drug-relevant properties whenever a structure is valid. Prediction results are valued and color coded. Properties with high risks of undesired effects like mutagenicity or a poor intestinal absorption are shown in red. Whereas a green color indicates drug-conform behaviour.
Piperazine bioisosteres
17/09/11 09:34
At the 16th SCI/RSC Medicinal Chemistry Symposium held in Churchill College, Cambridge there we a couple of examples of bioisosteric replacements for piperazine. Since piperazines turn up regularly in sample collections I thought it might be useful to add them to the page of basic bioisosteres.
The Great Stagnation
16/09/11 10:31
Those who heard Derek Lowe’s presentation at the Cambridge MedChem Meeting might be interested in reading the book by Tyler Cowen’s The Great Stagnation excerpts of which he used to illustrate his talk.
Fragment Based Screening
17/07/11 13:01 Filed in: fragment-based screening
Chemical Databases
07/07/11 22:22
Updated the Chemical Databases page, added MMsINCdatabase a free web-oriented database of commercially-available compounds for virtual screening and chemoinformatic applications. MMsINC contains over 4 million non-redundant chemical compounds in 3D formats.
16th SCI/RSC Medicinal Chemistry Symposium
06/07/11 07:50
The deadline for the early bird rates ends soon for the 16th SCI/RSC Medicinal Chemistry Symposium to be held Sunday 11 -14 September 2011 Churchill College, Cambridge, UK.
The 16th SCI-RSC Medicinal Chemistry Symposium will focus on first disclosures and new strategies in medicinal chemistry. Reflecting current trends in medicinal chemistry and pharmaceutical research, the theme of the conference will be The Path Forward: Collaboration or Competition? The scientific programme features lectures on Enzyme Inhibitors, Ligands for Receptors and Ion Channels plus a Hot Topic late breaker session. In addition the meeting has a number of talks addressing key Enabling Processes and Technologies for the future of Medicinal Chemistry. There will also be Poster Sessions with a number of posters selected for short talks
Full details are here
http://www.soci.org/General-Pages/Display-Event?EventCode=FCHEM108
The 16th SCI-RSC Medicinal Chemistry Symposium will focus on first disclosures and new strategies in medicinal chemistry. Reflecting current trends in medicinal chemistry and pharmaceutical research, the theme of the conference will be The Path Forward: Collaboration or Competition? The scientific programme features lectures on Enzyme Inhibitors, Ligands for Receptors and Ion Channels plus a Hot Topic late breaker session. In addition the meeting has a number of talks addressing key Enabling Processes and Technologies for the future of Medicinal Chemistry. There will also be Poster Sessions with a number of posters selected for short talks
Full details are here
http://www.soci.org/General-Pages/Display-Event?EventCode=FCHEM108
Updated Fragment Collections
05/05/11 08:27 Filed in: fragment-based screening
I’ve just updated two pages.
Fragment Collections on which I’ve added a couple of additional suppliers, and Fragment collection profiles on which I’ve added the profile of the TimTec collection and updated the collections from the existing vendors. It seems that as the collections evolve more of the collections are starting to look like they were designed rather than simply applying cutoffs (MWt etc) to an existing sample collection. We are starting to see less aromatic compounds and more consideration to the 3D structure.
Fragment Collections on which I’ve added a couple of additional suppliers, and Fragment collection profiles on which I’ve added the profile of the TimTec collection and updated the collections from the existing vendors. It seems that as the collections evolve more of the collections are starting to look like they were designed rather than simply applying cutoffs (MWt etc) to an existing sample collection. We are starting to see less aromatic compounds and more consideration to the 3D structure.
Idiosyncratic toxicity
29/04/11 09:20
I’ve updated the section on idiosyncratic toxicity to include more information on risk assessment strategies and the influence of clinical dose.
RSC MedChem School
04/04/11 13:07
The details of the RSC MedChem School that will be held 4-8 July 2011 at Burleigh Court Conference Centre, Loughborough University are now online. Early bird registration is available until April 1st.
Full details can be found on the RSC website here.
The residential training school focusses on current thinking in drug discovery and will take place at the Burleigh Court Conference Centre, Loughborough University. The course is directed primarily at graduate and post doctoral chemists with 1-4 years experience in the field of drug research. Final year PhD students in pharmacy and organic chemistry contemplating a career in medicinal chemistry will also find the course of use.
Full details can be found on the RSC website here.
The residential training school focusses on current thinking in drug discovery and will take place at the Burleigh Court Conference Centre, Loughborough University. The course is directed primarily at graduate and post doctoral chemists with 1-4 years experience in the field of drug research. Final year PhD students in pharmacy and organic chemistry contemplating a career in medicinal chemistry will also find the course of use.
Updated Bioisosteres
04/04/11 09:43 Filed in: Bioisosteres
Judging by the weblogs the Bioisosteres section has been very popular so I’ve added several more examples that I hope will be useful.
Grant funding available
10/03/11 20:07
Have you every thought of grant funding your research?
I’ve just updated the list of general and disease specific funding bodies.
Please let me know of any I’ve missed.
I’ve just updated the list of general and disease specific funding bodies.
Please let me know of any I’ve missed.
16th SCI/RSC Medicinal Chemistry Symposium
09/03/11 08:52
The flyer containing details of and the application form for the 16th SCI/RSC Medicinal Chemistry Symposium to be held Sunday 11 -14 September 2011 Churchill College, Cambridge, UK is now available for download FINAL CIRCULAR and APPLICATION FORM.
The 16th SCI-RSC Medicinal Chemistry Symposium will focus on first disclosures and new strategies in medicinal chemistry. Reflecting current trends in medicinal chemistry and pharmaceutical research, the theme of the conference will be The Path Forward: Collaboration or Competition? The scientific programme features lectures on Enzyme Inhibitors, Ligands for Receptors and Ion Channels plus a Hot Topic late breaker session. In addition the meeting has a number of talks addressing key Enabling Processes and Technologies for the future of Medicinal Chemistry. There will also be Poster Sessions with a number of posters selected for short talks
Call for Posters Contributions from the whole field of medicinal chemistry are invited. Please submit A4 abstracts of your poster presentation to jacqui.colgate@soci.org and indicate whether you are willing to be upgraded to a poster talk. Deadline for submissions: 27 May 2011.
The 16th SCI-RSC Medicinal Chemistry Symposium will focus on first disclosures and new strategies in medicinal chemistry. Reflecting current trends in medicinal chemistry and pharmaceutical research, the theme of the conference will be The Path Forward: Collaboration or Competition? The scientific programme features lectures on Enzyme Inhibitors, Ligands for Receptors and Ion Channels plus a Hot Topic late breaker session. In addition the meeting has a number of talks addressing key Enabling Processes and Technologies for the future of Medicinal Chemistry. There will also be Poster Sessions with a number of posters selected for short talks
Call for Posters Contributions from the whole field of medicinal chemistry are invited. Please submit A4 abstracts of your poster presentation to jacqui.colgate@soci.org and indicate whether you are willing to be upgraded to a poster talk. Deadline for submissions: 27 May 2011.
Directed and Virtual Screening
28/02/11 13:25 Filed in: Screening
Updated Aldehyde Oxidase page
11/01/11 09:52 Filed in: ADME
I’ve updated the page on Aldehyde Oxidase (AOX1), an enzyme involved in the metabolism of many nitrogen containing heterocycles. Read More...