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Exact(5)
In the library syntheses, the binding modes of each pivotal compound were determined and confirmed by X-ray crystallography and the library was strategically designed by structure-based computational approach not only to obtain a more active compound but also to obtain informative Structure Activity Relationship (SAR).
Vinyl sulfone (e.g. methyl-styryl sulfone) polarizes the double bond more than the corresponding vinyl aldehyde, and thus it is no surprise that replacement of the vinyl aldehyde function by a vinyl sulfone leads to a more active compound.
In particular, the pyrrolidinium ring on the fullerene carbon cage brings to a more active compound.
Moving from 6-membered heterocyclic replacements to 5-membered replacements (33– 39) did not lead to a more active compound than VU0422888.
In more than 99% of all activity cliffs, the more potent cliff-forming compound exhibits consistently higher ligand efficiency, and in more than 96% of all identified MMP cliffs, the more active compound showed an increased lipophilic efficiency.
Similar(55)
The reaction pattern consists of initial fast scavenging activity, where more active compounds react immediately with the radical.
Structural studies provide information necessary to design more active compounds.
Another possibility of improving the model could be using target-specific classes or more active compounds.
Those models are considered to be used in designing new leads for hopefully more active compounds.
Those hypotheses are considered to be used in designing new leads for hopefully more active compounds.
But Gonzalez cautions that smoked cannabis contains many more active compounds than THC does, and they may also be involved in harming the memory and other side effects.
Related(20)
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