Corporate Banner
Satellite Banner
Technology
Networks
Scientific Communities
 
Become a Member | 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


Scientific News
The Rise of 3D Cell Culture and in vitro Model Systems for Drug Discovery and Toxicology
An overview of the current technology and the challenges and benefits over 2D cell culture models plus some of the latest advances relating to human health research.
World’s Largest Coral Gene Database
‘Genetic toolkit’ will help shed light on which species survive climate change.
A Boost for Regenerative Medicine
Growing tissues and organs in the lab for transplantation into patients could become easier after scientists discovered an effective way to produce three-dimensional networks of blood vessels, vital for tissue survival yet a current stumbling block in regenerative medicine.
Breast Cancer Drug Hope
A drug for breast cancer that is more effective than existing medicines may be a step closer thanks to new research.
Untangling Disease-Related Protein Misfolding
Work advances understanding of genetic forms of thrombosis, emphysema, cirrhosis of the liver, neurodegenerative diseases and inflammation, among others.
Early Genetic Changes in Premalignant Colorectal Tissue Identified
Findings point to drivers of early cancer development, targets for cancer prevention therapies.
Harnessing Nature’s Vast Array of Venoms for Drug Discovery
Scripps scientists have developed a method for rapidly identifying venoms.
Nanoparticles Target, Transform Fat Tissue
Nanoparticles designed to target white fat and convert it to calorie-burning brown fat slowed weight gain in obese mice without affecting food intake. This proof-of-concept work could lead to new therapies to treat obesity.
New Cancer Fighters Emerge From Lab
Rice University lab simplifies total synthesis of anti-cancer agent.
Scientists Find Evidence That Cancer Can Arise Changes
Researchers at Rockefeller University have found a mutation that affects the proteins that package DNA without changing the DNA itself can cause a rare form of cancer.
Scroll Up
Scroll Down
Skyscraper Banner

Skyscraper Banner
Go to LabTube
Go to eposters
 
Access to the latest scientific news
Exclusive articles
Upload and share your posters on ePosters
Latest presentations and webinars
View a library of 1,800+ scientific and medical posters
3,000+ scientific and medical posters
A library of 2,500+ scientific videos on LabTube
4,500+ scientific videos
Close
Premium CrownJOIN TECHNOLOGY NETWORKS PREMIUM FOR FREE!