Printer Friendly

Locus Pharmaceuticals Announces Publications Relating to Its Computational Technologies.

BLUE BELL, Pa. -- Locus Pharmaceuticals, Inc., a computationally-based, drug design and development company, announced today that articles on three key areas of its technology have been accepted for publication in peer-reviewed journals. These publications are now available in web editions and will appear in print shortly.

"These three articles give a good perspective on the comprehensive nature of our proprietary technologies," said Jeffrey S. Wiseman, Ph.D., Vice President, Technology & Informatics at Locus. "For the first time, we are sharing with the scientific community this broad description of our unique approach to computational drug design."

The articles describe Locus developments relating to ligand protein binding, analysis of protein flexibility and ADMET prediction:

--Locus' method for computing the binding energy of protein ligands has been published as "Grand Canonical Monte Carlo Simulation of Ligand-Protein Binding" in the Journal of Chemical Information and Modeling (http://dx.doi.org/10.1021/ci050268f). This free energy calculation is the core of Locus' fragment-based method for de novo drug design and is the subject of an issued US patent.

--An application of Locus' protein dynamics simulations has been published as "Flap Opening Mechanism of HIV-1 Protease" in the Journal of Molecular Graphics and Modeling (http://dx.doi.org/10.1016/j.jmgm.2005.08.008). This publication highlights Locus' capabilities in modeling very long range protein motions and predicting the influence of ligands on protein structures.

--An application of Locus' fragment-based ADMET prediction methods has been published as "Development and Evaluation of an in Silico Model for hERG Binding" in the Journal of Chemical Information and Modeling (http://dx.doi.org/10.1021/ci050308f). This is an extension of an approach to ADMET predictions that is tailored to fragment-based design and addresses a key safety concern in drug development.

Described briefly, the Locus method involves fragment-based, computational drug design which Locus has combined with highly integrated medicinal chemistry and biology capabilities.

Starting with a protein crystal structure, an in silico collection of 40,000 molecular fragments and one of the world's largest privately-owned Linux-based supercomputer clusters, Locus identifies optimum ligand binding sites on protein targets and computes the binding affinity of molecular fragments to those sites. The fragments are then assembled computationally into drug candidates with accurately predicted binding potency. Other Locus technologies model physically realistic, long-range timescales of protein motion and design in appropriate ADMET properties.

The resulting 'virtual library' of drug candidates exceeds the size and diversity of any physical screening library by orders of magnitude. By significantly increasing the size of the library, chemical diversity is exponentially enhanced, which allows for design optimization (i.e., potent compounds with drug-like properties) and facilitates the development of new intellectual property. Because of the speed and accuracy with which these virtual libraries are constructed and evaluated, Locus typically needs to synthesize only hundreds of compounds to generate highly potent, orally active lead molecules.

About Locus Pharmaceuticals

Locus Pharmaceuticals, Inc. is a world leader in computational drug design. These proprietary computational approaches are combined with in-house expertise in chemistry, biology and crystallography to create a fully integrated drug discovery and development platform.

Locus is developing oral drug therapies to address major unmet medical needs, principally in cancer and inflammation. Locus expects to file an IND early this year for LP-261, Locus' lead oncology compound. In its inflammation program, Locus created uniquely selective p38 inhibitors that target an allosteric binding site rather than the ATP site, which may offer an improved safety profile compared to other p38 compounds under development. Earlier stage projects include a program to develop multi-kinase inhibitors, a Heat Shock Protein 90 program which is being conducted in a collaboration with the National Cancer Institute (NCI) and a gp41 program for AIDS/HIV. All of the Company's development programs emanate from its computational technology. Locus is privately-held. Visit www.locuspharma.com for more information.
COPYRIGHT 2006 Business Wire
No portion of this article can be reproduced without the express written permission from the copyright holder.
Copyright 2006, Gale Group. All rights reserved. Gale Group is a Thomson Corporation Company.

Article Details
Printer friendly Cite/link Email Feedback
Publication:Business Wire
Date:Jan 25, 2006
Words:640
Previous Article:Regal Entertainment Group Announces Timing of Fiscal Fourth Quarter & Full Year 2005 Earnings Release and Conference Call.
Next Article:Scandinavian Gold Limited: New Resource Estimate For Keivitsa Nickel-Copper-PGE Property.
Topics:


Related Articles
Editor's comment.
GENEFORMATICS/DE NOVO FORM DRUG DISCOVERY COLLABORATION.
An analysis of relations among locus of control, burnout and job satisfaction in Turkish high school teachers.
Organization and evolution of the Cyp2 gene cluster on mouse chromosome 7, and comparison with the syntenic human cluster *.
Three new journal titles launched by Springer.
CYPROTEX GETS DUAL BOOST FOR RESEARCH DEVELOPMENT.
Equations with parameters: a locus approach.
Computer science majors: sex role orientation, academic achievement, and social cognitive factors.
IEEE (New York) has begun the publication of two new periodicals.
The NIH ENDGAME consortium.

Terms of use | Copyright © 2017 Farlex, Inc. | Feedback | For webmasters