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