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Chemistry Forums for Students => Organic Chemistry Forum => Topic started by: GSR on December 27, 2005, 03:50:12 AM

Title: structure alert on drug design
Post by: GSR on December 27, 2005, 03:50:12 AM

hi,

does anyone has information to share on "structure alert on drug design".

thanks in advance

GSR

Title: Re:structure alert on drug design
Post by: Albert on December 27, 2005, 06:29:57 AM

I know structure based drug design.
Where did you find this structrure alert d.d.?

Title: Re:structure alert on drug design
Post by: GSR on December 27, 2005, 11:13:05 AM

I got this information from one of  the member in other forum. if you know about it, would you be interested to share with me.

Title: Re:structure alert on drug design
Post by: Albert on December 27, 2005, 01:33:31 PM

Structure based drug design is the way drugs are developed nowadays.

In a nutshell, it requires a complete knowledge of the biochemical target: size, 3D conformation, functional groups, stereo-electronic properties, ect.
This gives you the opportunity, with the help of data-bases and specific computer programmes, to design a pharmacophore, which is not a lead molecule, but a 'backbone', a minimum structure: it just displays the fundamental functions for the linkage between the drug and the target and the spatial collocation of the functions.
Then from the pharmacophore you have to work out the molecule(s): syntheses are commonly based on the development of already-existing molecules, but there is also the de novo design (it's Latin: you know, Americans love it! :))
De novo design means trying to invent a molecule only from the pharmacophore.