Re: QSAR - conformation vs conformer

Hi All,

A "conformation" transient in solution may become a "conformer" in
adsorbed (protein-bound, receptor-bound) state. Hence, the
"biologically active conformation" is in common usage. The stability of
a conformer is not necessarily an intramolecular matter but can
originate from the environment through non-covalent intermolecular
interactions (cf The Concept of Chiral Conformers and its Significance
in Molecular Pharmacology, In Advances in Drug Research Academic Press,
Vol 30, pp 73-110, 1997).

Miklós Simonyi

On Saturday, January 17, 2004, at 05:56 AM, Lemont Kier wrote:

> NB: Unless you reset the To: line, your reply goes to the entire list
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>
>
> Phil
>
> General use has blurred the difference. I understand the meanings
> to be, conformation: a generic term aluding to the state of spatial
> inter-relationship among atoms in a molecule; conformer: a specific
> example of a conformation in which the coordinates of each atom are
> defineable.
>
> Monty Kier
>
> -------------------
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>> Hi all,
>>
>> I wonder if anyone has favorite definitions for conformation and
>> conformer that they might be willing to share. There is some
> discussion in
>> our group with regards to which should be used for a single,
> specific
>> spatial arrangement of the atoms of a compound.
>>
>> For example " The lowest energy conformation was found to be..." or
> "The
>> conformer showing the lowest energy was found to be..."
>>
>> Any insight would be appreicated. Is there a standard that is now
>> recommended in publications?
>>
>> Phil Hammond
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>
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Miklós Simonyi
Head of Department
Institute of Chemistry, CRC
Department of Molecular Pharmacology
phone/fax: +361 325-9188
e-mail: msimonyi{}chemres.hu
home page: http://www.chemres.hu/eng/ic/depts/moleculp/
Received on 2004-01-19 - 09:15 GMT