Re: [AMBER] Any one reported a drug dissociation barrier could be as high as 100 kcal/mol ?

From: Dmitry Mukha <>
Date: Sun, 19 Dec 2010 20:53:38 +0200

2010/12/19 Catein Catherine <>

> Did any one read any publication reported that the potential of mean force
> for a drug dissociation from its receptor could be as high as 100 kcal/mol?

The most tight non-covalent complexes reported are avidin/streptavidin and
barnase/barstar (and some other rnase with rnase inhibitor). Kd of these
complexes lie below femtomol/liter order, which is equivalent to free energy
slightly below -20 kcal/mol. Free energy near 100 kcal/mol corresponds to
the Kd ~10E-73 M. How to measure this huge energy value? Maybe by
calorimetry technique?

Dmitry Mukha
Institute of Bioorganic Chemistry, NAS, Minsk, Belarus
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Received on Sun Dec 19 2010 - 11:00:09 PST
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