Virtual screening

InhibOx and COSMIC Discoveries Align to Deliver 
Full Service Drug Discovery Offering

Submitted by InhibOx on March 15, 2011 - 11:11

New service supports big pharma’s drive to outsourcing by offering highly sophisticated technologies for drug discovery chemistry with leading computer-aided drug design services

COSMIC Discoveries

  InhibOx

InhibOx Announces Scopius-5 – The First 100 Million+ Compound 3D Drug Candidate Design Database

Submitted by InhibOx on December 17, 2010 - 15:33

Scopius is the largest available curated 3D compound and fragment database

Oxford, UK, December 17, 2010 - InhibOx Ltd, the specialist in novel and effective computational methods for drug discovery, today announces the launch of Scopius-5 – the world’s largest currently available drug discovery screening database and the first system to pass 100 million compounds. Scopius-5 is a unique and powerful resource that will enable new levels of innovation and rigor to screening processes in drug discovery.

InhibOx Updates Partial Charges for DUD Molecules

Submitted by InhibOx on July 6, 2010 - 21:00

AutoDock helps tackle two AIDS targets, HIV Protease and HIV Integrase

Submitted by InhibOx on March 8, 2010 - 19:29

Oxford, UK — 11th March, 2010.

The Scripps Research Institute and the FightAIDS@Home project announce new publications and the discovery of two new anti-HIV compounds.

A recent publication in the Journal of Molecular Biology, on which leading InhibOx scientist Dr. Garrett M. Morris is a co-author, describes a dynamic model of HIV integrase inhibition and drug resistance.  This work employed the ligand-protein docking program, AutoDock, of which Garrett is a key developer.

Ligand-Based Virtual Screening

Ligand-Protein Docking

Introduction

Ligand-protein docking methods attempt to identify optimal positions, orientations and conformations of a ligand or small molecule with respect to a given protein receptor or enzyme.  InhibOx offers extensive expertise and a range of solutions in ligand-protein docking.

Intelligensys and InhibOx Apply Proven Formulation Approaches to Improve Lead Discovery Efficiency

Submitted by InhibOx on February 8, 2010 - 16:00

Oxford and Stokesley, UK — 8th February 2010

InhibOx Ltd (Oxford, UK) and Intelligensys Ltd (Stokesley, North Yorkshire, UK) announce a partnership to apply advanced machine learning approaches, already successful in formulation design, to improve virtual screening and computer-aided drug design (CADD) efficiency.

InhibOx

CCDC logoDrug discovery in the 21st century is undergoing the most dramatic change it has ever seen. Pharma companies are globalizing their R&D capabilities, seeking new collaboration partners and outsourcing activities from simple tasks to complete projects.  And everyone in pharma, biotechs, CROs and academic research institutes is seeking new and better approaches to discovering new drug candidates.

InhibOx Announces Important Breakthrough in Molecular Similarity: Chiral Shape Recognition (CSR)

Submitted by InhibOx on November 15, 2009 - 16:00

Oxford, UK - November 2009

The quantitative measurement of molecular similarity has long been an essential tool in computer-aided drug discovery, in particular for the identification of new leads and scaffold hopping. Until now, however, there has been no fast, non-superpositional method that accounts for enantiomeric (mirror image) molecules, an essential facet of many biological interactions. InhibOx has now made an important breakthrough to meet this challenge.

Successful DrugFinder Collaboration with Oxford University Chemistry Department Discovers Novel Kinase Inhibitors

Submitted by InhibOx on November 9, 2009 - 16:00

Oxford, UK - November 2009

As part of its DrugFinder initiative, InhibOx has undertaken a project in collaboration with the group of Dr. Angela Russell of the Chemistry Department, at the University of Oxford.  Taking an oncology kinase target as its starting point, InhibOx performed virtual screening of its internal databases, using its proprietary software platform to identify potential inhibitors for experimental screening.

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