Tired of all
those planar aromatics in your compound collection? Three-dimensional fragments
are all the rage these days, and chemical suppliers are happy to oblige. After
the stunning success of their FUNK library, SerpentesOleum has come out with a
new offering, Tesseract Products (TP). All of the TP fragments are guaranteed
to be nice, plump, and squeezably soft. For example:
Even more
exciting, the company has hired a crack team of physicists to produce a line of
4-dimensional fragments with principal moments of inertia greater than 1. Don't
delay, order your TP today, and wipe away the 2-D blues!
SerpentesOleum is also moving to the Virtucon R&D Site. http://www.quantumtessera.com/big-move-in-the-works/
ReplyDeleteWe have fragments that can bend the space time continuum. They can help you getting younger.
ReplyDeleteAlthough I don’t have anything against “three-dimensional” fragments per se, I do think it is important not to fetishize them: shape should be only one consideration in library design. Indeed, there is some evidence that more shapely fragments may give lower hit rates due to higher molecular complexity.
ReplyDeleteThat said, if you do include exotica in your screening collection, better these molecules than last year’s April Fools molecules!
3Dimensionality can be and should be considered only another layer of diversity we can add when designing a fragment library on top of the canonical one (e.g. chemical, pharmacophore and so on). I have been looking at "shapy" fragments for the last 3 years and there is no clear correlation between 3Dimensionality and complexity. In this regards, when we speak about complexity what do we mean? Synthetic complexity? Pharmacophore complexity (Hann type thing)? Both? That's also in the eye of the beholder a bit....
ReplyDelete