ADL: Please help us continue the development of the tools you use

Seetharama Jois jois at
Fri May 9 11:51:54 PDT 2008


Dear PMV, ADT and/or Vision users,

The development of these software tools has largely been provided by the
National Center for Biomedical Research (NBCR), RR08605 a NIH-funded
national resource that we are a part of. Our 5 year funding period is coming
to an end and we are in the process of applying for a 5 year continuation
and we need your support. If you are using our tools on an NIH-funded
research project it would strengthen our application tremendously if we
could list your project. We would need to know:

-          The tool(s) you are using? [  ]PMV,  [ X ]ADT,  [  ]Vision

-          The title of your award:     Targeting_HER2 protein for breast
cancer using computational approach

-          The award number:           Subcontract, Louisiana Biomedical

-          The funding period:           From: 01/02/2008                 to
: 08/31/2008

Optionally give us:
           - Short description of work
            The over expression or activation of HER-2 occurs frequently in
breast, ovarian and lung cancers. HER-2 has become an important therapeutic
target in breast cancer. Based on the crystal structure of HER2 and
herceptin complex, we have designed several peptides/peptidomimetics to
inhibit HER2 interaction with other molecules. Two of the compounds (HERP5
&HERP7) exhibited antiproliferative activity with an IC50 value of 0.390 and
0.143 uM against SKBR3 cell lines which are overexpressed in breast cancer.
The designed compounds may block HER2 interaction with other ErbB receptor
proteins that induce signaling pathways. In the present proposal we will
investigate the chemical diversity of HERP5 and 7 using computational
approach. Using autodock method, analogues of HERP5 and 7 will be docked to
HER-2 protein crystal structure. The low energy docked structures resulting
from the analysis will be considered as possible potential candidates for
evaluation of biological activity.               

           - Publication from work (if any)

We need your response by Monday 12 May 2008.

We apologize if you get this message multiple times as we are sending it to
mailing lists for all of our tools and we thank you in advance for taking a
few minutes of your time to help us secure for continuing the development
and dissemination of these software tools.

Best regards

The MGLTools software development team

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