24 Aug. A new Perspective paper on “Non-innocuous Consequences of Metabolic Oxidation of Alkyls on Arenes” from Awametox was published in Journal of Medicinal Chemistry by A Claesson and K Parkes. As of 27 August it had been viewed 560 times.
16 Aug. Great news for all users of Optibrium’s excellent drug design tool StarDrop (see June post below)! You will now be able to access SpotRM for free till year end (use API or the app directly). Just register at SpotRM homepage and mention that you are a StarDrop user and you will automatically be assigned a valid license.
SpotRM is now available as plugin to Optibrium’s StarDrop. This plugin is available and usable for free for subscribers to SpotRM. A valid license to use StarDrop is required. Demo versions are available.
A presentation “On Safety Aspects of a Methyl Group in Drug Design” is shared by us on SlideShare. There, the problem of a methyl group being metabolically oxidized to a labile/reactive benzylic alcohol is discussed with many examples.
A brand new application, SpotRM Web replaces the desktop version SpotRM+.
It features new functionalities regarding batch/multimol searches and has improved regarding structure drawing and text searching. Furthermore:
– The number of drug examples has been increased to 320+.
– The number of monographs has been increased by 14.
– Several smarts have been fine-tuned and the old monographs have been updated.
Also integrated is the possibility of accessing the database via an API!
Stay tuned for upcoming announcements regarding SpotRM!
SpotRM+ Version 1.3 released:
Version 1.3 vs. 1.2:
Number of drug examples: 298 vs. 281
Number of monographs (PDF summary sheets): 126 vs. 122
Number of SMARTS: 66 vs. 65
- Updates/addition of literature references
- Most Mechanism in Context documents expanded
- Corrections to consistent layout
Compare to first update: Version 1.2 (released 2017) vs. V.1.1:
Number of drug examples: 281 vs. 268
Number of monographs (PDF summary sheets): 122 vs. 116
Number of SMARTS: 65 vs. 64
In addition, a number of updates/addition of literature references and expanded contents
A 23-page Perspective paper “Systematic Approach to Organizing Structural Alerts for Reactive Metabolite Formation from Potential Drugs” by A Claesson and A Minidis was published in Chemical Research in Toxicology 2018.
Awametox (via Alf Claesson) presented a poster with the title “Validated Structural Alerts for Reactive Metabolites” at the 1st RSC Anglo-Nordic Medicinal Chemistry Symposium, 11th-14th June 2017, Snekkersten, Denmark.
Link to the program is here