Corporate Banner
Satellite Banner
Technology
Networks
Scientific Communities
 
Join | Sign in
Home>Videos>This Video
  Videos

Return

Library Design for Tackling Protein-protein Interactions: The 2P2I Approacha
SELECTBIO

In the last decade, the inhibition of protein-protein interactions (PPI) has emerged from both academic and private research as a new way to modulate protein networks. Due to the implication of PPI in numerous diseases, inhibitors of these original interactions are certainly the next generation of highly innovative drugs that will reach the market. However, in silico design of such compounds still remains challenging. We have developed 2P2IDB, a hand-curated structural database dedicated to PPI with known orthosteric inhibitors. Using structural knowledge from the recent success stories our goal is to derive some common principles to help future target selection by assessing the druggability of PPI and to accelerate the process of drug discovery by improving the quality of chemical libraries dedicated to PPI. Analysis of the small molecule inhibitors present in 2P2IDB led us to propose the ‘rule-of-four’ as a guideline to characterize PPI inhibitors. Using dedicated support vector machine approaches, we have developed 2P2IHUNTER, a tool for filtering potential orthosteric PPI modulators from large collections of compounds (article under review). This innovative tool has been applied to a set of 8.3 million compounds from the “big vendors” to design several in silico PPI focused chemical libraries. Compounds corresponding to medicinally important privileged structures, identified as core structures in numerous therapeutics, were prioritized in a medicinal oriented version of the library. The library was filtered with carbon bond saturation index (Fsp3) to escape from flatland, which resulted in a structurally-diverse chemical library of 1,683 compounds. The molecules have been purchased from the providers, stored in 364-well plates and are currently tested against a standard PPI target (MDM3/P53) to evaluate their ability to enhance hit rates in general screening campaigns. The design and molecular properties of the different in silico chemical libraries and preliminary results from the experimental screening will be discussed during the presentation.

Request more information
Company product page



For access to this article, enter your email address to instantly recieve a Password Reset link.

Please enter your email address below:

Existing users please Sign In here. Don't have an account? Register Here for free access.

Don't have an account? | Register Here

Scientific News
Drinking Raw Milk Dramatically Increases Risk for Foodborne Illness, Analysis Finds
Researchers discourage the consumption of raw milk, especially by children, pregnant women and the elderly.
Immunomagnetic Assay On-a-Chip Captures, Analyzes Circulating Tumor Cells
Dartmouth researchers and bioengineers develop novel system to improve cancer treatment.
Genome Study Predicts DNA of the Whole of Iceland
Large genome databases are starting to reveal critical health information-even about people who have not contributed their DNA.
How the Human Immune System Keeps TB at Bay
Scientists create model of host, bacteria behavior in latent TB infection.
MDC Researchers Greatly Increase Precision of New Genome Editing Tool
“One of the hottest topics in science and an innovative field”.
‘Atomic Chicken-Wire’ Is Key To Faster DNA Sequencing
An unusual and very exciting form of carbon - that can be created by drawing on paper- looks to hold the key to real-time, high throughput DNA sequencing, a technique that would revolutionise medical research and testing.
The Switch That Might Tame The Most Aggressive Of Breast Cancers
Garvan researchers have found that so-called ‘triple-negative breast cancers’ are two distinct diseases that likely originate from different cell types. They have also found a gene that drives the aggressive disease, and hope to find a way to ‘switch it off’.
Gene Editing Technique Mastered In Mosquito That Transmits Deadly Diseases
Technique will help researchers learn more about the role of genes that are involved in mosquito propagation.
Genetic Mutation Helps Explain Why, In Rare Cases, Flu Can Kill
Study shows that immune response to flu can be affected by a rare genetic mutation.
The Colour Of Lettuce Determines The Speed Of Its Antioxidant Effect
A study by the UPV/EHU-University of the Basque Country has explored the kinetics in the Batavia, Marvel of Four Seasons and Oak Leaf lettuces.
Scroll Up
Scroll Down
Skyscraper Banner

SELECTBIO Market Reports
Go to LabTube
Go to eposters