Le Vendredi 27 Avril 2018 14:51 CEST, vincent Chaptal
a écrit:
Just a little remark (I hope I'm not splitting hairs): it is not exact that the
alkyl chain "creates a lot of entropy". Instead the mark of dissolution of
hydrophobic compounds in aqueous solvent is a strong decrease of entropy du
Thanks for the thoughtful thought. The alkyl chain has 8 carbons. The scaffold
that the alkyl chain attached to has 3 hydrogen bonds donors and 3 H-bond
acceptors and with one phenyl ring. The overall cLogP is around 4 — slightly
higher than the Lipinski's rule of five. Yes, I have planed to run
Dear Wenhe,
A thought came to mind after having read all the other threads, for
which I generally agree.
An alkyl chain on a molecule (charged? hydrophilic?, you mention a
negatively charged binding site) will most likely not lead to micelle
formation as the cmc of the object will be most like
track the Tyr in FT?
best, matthias
*From:* CCP4 bulletin board on behalf of
Christian Roth
*Sent:* Friday, April 27, 2018 9:00:03 AM
*To:* CCP4BB@JISCMAIL.AC.UK
*Subject:* Re: [ccp4bb] Compound with flexible conformation
From: CCP4 bulletin board on behalf of Christian Roth
Sent: Friday, April 27, 2018 9:00:03 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Compound with flexible conformation but nM Kd
Anectodal evidence I have heard from colleagues working with things, which
Anectodal evidence I have heard from colleagues working with things, which
are immobilized is that the measured Kd value on the surface can be wildly
different from what is measured in solution. A superbinder on a surface
might not be as good in solution. There seems still a lot of debate why
that
Hi Philippe,
The affinity was measured by SPR where we immobilized the protein on the chip.
One thing I forgot to mention is that the association rate (kon) shown in SPR
experiment for this compound is faster (>10-fold faster) compared to other
analogues with similar koff. There is a pi-pi inte
For proteins in membranes, or proteins purified in the presence of detergents
and/or lipids, the active site is sometimes surrounded by a hydrophobic mileau.
The actual concentration that the binding site sees is then dependent on
partitioning of the ligand between the water (where its concentr
Le Jeudi 26 Avril 2018 16:50 CEST, WENHE ZHONG a
écrit:
Just to be sure: how was the nM affinity evaluated ? By in vitro measurements,
or by obtaining an IC50 by tests on cells ?
Of course, if you are mentioning an IC50, you may have a measurement of the
efficacy of drug entrance in the cells
Dear Community,
A little bit out of topic here. We are applying the structure-based approach to
design compounds that can bind our protein target. We have synthesized a series
of analogues based on the same scaffold with different substituents at one
particular site. The most potent analogue (n
10 matches
Mail list logo
