Allosteric protein kinase inhibitors

[William Erbil]

Dear Christian,

Thank you for your reply.  I am very interested in learning about your work
with p53-MDM2.  I read the PLOS One paper the other day and really like the
idea.  I am wondering, for CDK2-Cyclin A:

http://www.rcsb.org/pdb/explore/explore.do?structureId=1FIN

How big do you think the synthetic ligand needs to be to block the
interaction?

Kaya

On Mon, Jul 6, 2015 at 10:05 AM, Christian Schafmeister <
chris.schaf at verizon.net> wrote:

> William,
>
> It is one of the purposes of CANDO - a Chemistry package that runs on top
> of Clasp to develop molecules (protein kinase inhibitors included) to bind
> and disrupt protein-protein interfaces.
>
> CANDO (Computer Aided Nanostructure Design and Optimization) is a large
> collection of functions and classes that allow the programmer to build and
> design molecules.  It runs within Clasp.  CANDO is written in C++ and in
> Clasp Common Lisp.
>
> Clasp is a Common Lisp compiler that uses LLVM as its backend and
> interoperates with C++.
>
> Clasp is under active development and is available at
> github.com/drmeister/clasp
>
> CANDO is not yet available on github but will be as soon as I get it to do
> something useful again (build molecules).  CANDO is code that I wrote years
> ago and it used to be exposed to Python. Then I got fed up with Python and
> decided to start a little side project to develop a better language (Clasp)
> to support CANDO.
>
> Best,
>
> .Chris.
>
>
>
>
> On Jul 5, 2015, at 11:27 AM, William Erbil <wkerbil at umn.edu> wrote:
>
> Dear Clasp developers,
>
> Has anyone thought about using Clasp in the development of protein kinase
> inhibitors that bind at protein-protein interfaces?
>
> Kaya
>
>
>
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