From owner-chemistry@ccl.net Fri May  7 15:17:00 2010
From: "Carlos F. Lagos carlos(-)cbuc.cl" <owner-chemistry__server.ccl.net>
To: CCL
Subject: CCL: Receptor Based Pharmacophore Model
Message-Id: <-41817-100507111134-17559-4PzlZAuaHsQwQECSAKDaxA__server.ccl.net>
X-Original-From: "Carlos F. Lagos" <carlos_-_cbuc.cl>
Content-Transfer-Encoding: quoted-printable
Content-Type: text/plain;
	charset="iso-8859-1"
Date: Fri, 7 May 2010 10:37:19 -0400
MIME-Version: 1.0


Sent to CCL by: "Carlos F. Lagos" [carlos^-^cbuc.cl]
Hello Anup, this is only one way you can do this. First superimpose all
structures containing the ligand(s) to have them in the same coordinate
space using any classical molecular modeling software, then use =
LigandScout
(www.inteligand.com, you can have one month free upon register to try =
this
approach) to generate a pharmacophore model for each one and add ligand =
and
pharmacphore to alignment, the you can cerate a shred feature =
pharmacophore
model for your study. Hope this helps

QF Carlos F. Lagos
Medicinal Chemistry Laboratory MCLab, Faculty of Chemistry
P. Universidad Catolica de Chile=20
Av Vicu=F1a Mackenna 4860 I 7820436 Santiago-Chile
Phone: +56 2 3541911 I http://www.quimica.uc.cl
=20
=20
-----Mensaje original-----
De: owner-chemistry+carlos=3D=3Dcbuc.cl/./ccl.net
[mailto:owner-chemistry+carlos=3D=3Dcbuc.cl/./ccl.net] En nombre de Anup =
Shah
shahanup86*_*gmail.com
Enviado el: Viernes, 07 de Mayo de 2010 06:32
Para: Lagos, Carlos F 
Asunto: CCL: Receptor Based Pharmacophore Model


Sent to CCL by: "Anup  Shah" [shahanup86:_:gmail.com]
Dear all,

Can anyone recommend me a tool for structure/receptor based =
pharmacophore
model=20
generation using various crystal structure of a receptor in different=20
conformation?

Thanking you in anticipation.

ANUP SHAH
M.S. (Pharm)=20
Center for Pharmacoinformatics,
National Institute of Pharmaceutical Education & Research,
Sector 67, S.A.S. Nagar, Mohali
Punjab-160062, INDIA



-=3D This is automatically added to each message by the mailing script =
=3D-http://www.ccl.net/cgi-bin/ccl/send_ccl_messageSubscribe/Unsubscribe:=20Job: http://www.ccl.net/jobs=20http://www.ccl.net/spammers.txt__________ Informaci=F3n de ESET NOD32 Antivirus, versi=F3n de la base =
de firmas
de virus 5095 (20100507) __________

ESET NOD32 Antivirus ha comprobado este mensaje.

http://www.eset.com


=20

__________ Informaci=F3n de ESET NOD32 Antivirus, versi=F3n de la base =
de firmas
de virus 5095 (20100507) __________

ESET NOD32 Antivirus ha comprobado este mensaje.

http://www.eset.com
=20