Maybridge database

CoX-2 Maybridge database (12.5 K) Catalyst search followed by GOLD docking 5 hits of 8 tested [113]... 

Experimental Validation 11 Mining of the Maybridge database yielded two compounds that were synthesized and sent to NIH for the MBS anticonvulsant test. Very promising and exciting results have also been obtained. One of the compounds (C9) shows moderate anticonvulsant activity of ED50 between 30 and 100 mg kg (in mice), while the other (C8) is a very potent anticonvulsant agent with ED50 of 18 mg kg" in mice (ip). In summary, both compounds were found to be very active in both mice and rats (Table 16.2). 

Tab. 16.2 Results of anticonvulsant activity testing from anticonvulsant screening project at the National Institutes of Health (Maybridge database)... 

R2 >0.87). A pharmacophore was also used to screen the Maybridge database to retrieve 996 hits, which were then docked with FlexXd... 

UNITY pharmacophore, FlexXd docking, and structure interaction fingerprint approaches were used to identify compounds in the Maybridge database (59,275 compounds) as potential thymidine monophosphate kinase inhibitors... 

Maybridge Database, Maybridge Chemical Co. Ltd., UK, 1999. http //www.maybrldge.com... 

Maybridge Database. Daylight Chemical Information Systems Inc., 27401 Los Altos, Suite 370, Mission Viejo, CA 92691. http //www.daylight.com/. 

Figure 2 Screen from Catalyst displaying a hit retrieved from the Maybridge database based on an angiotensin II blocker pharmacophore developed by Peter Sprague. The conformation of the hit with the highest score is shown overlaid with the original query...

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