Inte:Ligand
Encyclopedia
Inte:Ligand is a software company headquartered in Vienna
, Austria
. It provides software and services for chemical research, especially in the areas of drug discovery
.
Inte:Ligand started in 2003 as a spin-off of the University of Innsbruck and was founded by Prof. Thierry Langer, Dr. Gerhard Wolber and Prof. Hermann Stuppner.
Researchers and scientists at Inte:Ligand have developed technology
for 3D pharmacophore
development and virtual screening
used in early drug development
stages to make drug discovery
more efficient to prevent failures in clinical trials.
Applications include the discovery of new Myeloperoxidase
ligands, HIV
reverse transcriptase inhibitors, applications in anti-viral bio-activity profiling, the development of models to predict HIV
Protease activity, Cytochrome P450 activity prediction
,
and simulation models for the activity on Factor Xa.
Vienna
Vienna is the capital and largest city of the Republic of Austria and one of the nine states of Austria. Vienna is Austria's primary city, with a population of about 1.723 million , and is by far the largest city in Austria, as well as its cultural, economic, and political centre...
, Austria
Austria
Austria , officially the Republic of Austria , is a landlocked country of roughly 8.4 million people in Central Europe. It is bordered by the Czech Republic and Germany to the north, Slovakia and Hungary to the east, Slovenia and Italy to the south, and Switzerland and Liechtenstein to the...
. It provides software and services for chemical research, especially in the areas of drug discovery
Drug discovery
In the fields of medicine, biotechnology and pharmacology, drug discovery is the process by which drugs are discovered or designed.In the past most drugs have been discovered either by identifying the active ingredient from traditional remedies or by serendipitous discovery...
.
Inte:Ligand started in 2003 as a spin-off of the University of Innsbruck and was founded by Prof. Thierry Langer, Dr. Gerhard Wolber and Prof. Hermann Stuppner.
Researchers and scientists at Inte:Ligand have developed technology
for 3D pharmacophore
Pharmacophore
thumb|right|300px|An example of a pharmacophore model.A pharmacophore is an abstract description of molecular features which are necessary for molecular recognition of a ligand by a biological macromolecule....
development and virtual screening
Virtual screening
Virtual screening is a computational technique used in drug discovery research. By using computers, it deals with the quick search of large libraries of chemical structures in order to identify those structures which are most likely to bind to a drug target, typically a protein receptor or...
used in early drug development
Drug development
Drug development is a blanket term used to define the process of bringing a new drug to the market once a lead compound has been identified through the process of drug discovery...
stages to make drug discovery
Drug discovery
In the fields of medicine, biotechnology and pharmacology, drug discovery is the process by which drugs are discovered or designed.In the past most drugs have been discovered either by identifying the active ingredient from traditional remedies or by serendipitous discovery...
more efficient to prevent failures in clinical trials.
Applications include the discovery of new Myeloperoxidase
Myeloperoxidase
Myeloperoxidase is a peroxidase enzyme that in humans is encoded by the MPO gene. Myeloperoxidase is most abundantly expressed in neutrophil granulocytes . It is a lysosomal protein stored in azurophilic granules of the neutrophil...
ligands, HIV
HIV
Human immunodeficiency virus is a lentivirus that causes acquired immunodeficiency syndrome , a condition in humans in which progressive failure of the immune system allows life-threatening opportunistic infections and cancers to thrive...
reverse transcriptase inhibitors, applications in anti-viral bio-activity profiling, the development of models to predict HIV
HIV
Human immunodeficiency virus is a lentivirus that causes acquired immunodeficiency syndrome , a condition in humans in which progressive failure of the immune system allows life-threatening opportunistic infections and cancers to thrive...
Protease activity, Cytochrome P450 activity prediction
,
and simulation models for the activity on Factor Xa.
Science and Technology
- LigandScoutLigandScoutLigandScout is a software tool that allows to model 3D pharmacophore models from structural data of macromolecule/ligand complexes or from training and test sets of organic molecules...
, a program to derive structure-focused 3D pharmacophores, molecular 3D alignment and 3D pharmacophore modeling.
Other companies and institutions providing drug discovery software
- AccelrysAccelrysAccelrys is a software company headquartered in the US, with representation in Europe and Japan. It provides software for chemical, materials and bioscience research for the pharmaceutical, biotechnology, consumer packaged goods, aerospace, energy and chemical industries.Accelrys started in 2001...
- GenedataGenedataGenedata is a bioinformatics solution provider based in Basel, Switzerland. It provides products to the Pharmaceutical industry, Biotechnology, Agriculture and Academia worldwide....
- OpenEye Scientific SoftwareOpenEye Scientific SoftwareOpenEye Scientific Software develops large-scale molecular modeling applications and toolkits.-Scope:Primarily geared towards drug discovery and design, areas of application include structure generation, docking, shape comparison, charge/electrostatics, cheminformatics and visualization...
- Chemical Computing GroupChemical Computing GroupChemical Computing Group is a software company specializing in research software for computational chemistry, bioinformatics, cheminformatics, docking, pharmacophore searching and molecular simulation. The company's main customer base consists of pharmaceutical and biotechnology companies, as well...