Issue 4, 2012
From the journal:

MedChemComm

Investigation of the effect of molecular properties on the binding kinetics of a ligand to its biological target

Duncan C. Miller,†*a   Graham Lunn,a   Peter Jones,a   Yogesh Sabnis,a   Nichola L. Daviesa  and  Paul Driscolla  

* Corresponding authors

a Pfizer Global R & D, Ramsgate Road, Sandwich, Kent, U.K

Abstract

A database of binding kinetic data across multiple targets has been created. Analysis of this database provides insights into trends for the effects of physicochemical properties (molecular weight, clogP, rotatable bond count) on the dissociation kinetics of ligands from their biological targets.

Graphical abstract: Investigation of the effect of molecular properties on the binding kinetics of a ligand to its biological target

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Article information

DOI
https://doi.org/10.1039/C2MD00270A
Article type
Concise Article
Submitted
25 Oct 2011
Accepted
20 Jan 2012
First published
07 Feb 2012

Med. Chem. Commun., 2012,3, 449-452

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Investigation of the effect of molecular properties on the binding kinetics of a ligand to its biological target

D. C. Miller, G. Lunn, P. Jones, Y. Sabnis, N. L. Davies and P. Driscoll, Med. Chem. Commun., 2012, 3, 449 DOI: 10.1039/C2MD00270A

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