Events


[Sept2014] EuroQSAR 2014: download slides on a new C2P (Chemo-Proteomic Plateform) application presented at the 20th EuroQSAR conference in Saint Petersburg
MEDIT SA in coordination with SupBiotech and Felix Concordia SARL has presented this new C2P (Chemo-Proteomic Plateform) application at the EuroQSAR 2014 : "Cross-mining in 3D-2D-1D the PDB, chemical libraries and structure activities to extract shared modes of binding for PDB ligand substructures". Please look at the slides of the oral presentation


[July2014] RICT2014: download our poster on FC-Bioisostere presented at the 50th International Conference on Medicinal Chemistry
MEDIT SA, Felix Concordia SARL and SupBiotech are proud to present further statistical analysis and validations of the FcBioisostere software (Chemo-Proteomic Platform). Please look at our poster


[May2014] Try for free the FC-Bioisostere1.0.8 software for bioisostere replacement
Please (1) download this compress package at http://medit-pharma.com/uploads/media/download/FcBioisostere1.0.8_for_eval.rar , (2) uncompress the file , (3) open the FcBioisostere1.0.8_for_eval directory , (4) double click on FcBioisostere_CLICK_HERE_TO_START . The RAR compress file for evaluation includes a database of bioisosteres that was built upon the comparison of 4059 kinase pdb files by MED-SuMo . This evaluation version software cannot save results . More about FC-Bioisostere on http://medit-pharma.com/index.php?page=fc-bioisostere


[July2013] RICT2013: download our poster on C2P - Chemo-Proteomic Platform presented at the 49th International Conference on Medicinal Chemistry
MEDIT SA and Felix Concordia SARL are proud to present some early results about the new C2P strategy (Chemo-Proteomic Platform). Please look at our case study on Plasmodium falciparum kinases where C2P software components are cross-mining biostructural data, SAR data and chemical libraries altogether.


Experimental Biology 2012 - San Diego
MEDIT is welcoming you at its booth at the Experimental Biology 2012 in San Diego. Get fresh news about hot products like MED-Bioisosteres and MED-SuMo for biologics design, repurposing and ligand design ! Or just pass by to say hello, Stephane Richard is welcoming you. Our booth is 1638. It is shared with our partner AgileBio USA.


ACS meeting in San Diego
MEDIT is welcoming you at its booth at the ACS spring meeting in San Diego March 25-29. Get fresh news about hot products like MED-Bioisosteres and MED-SuMo for biologics design, repurposing and ligand design ! Or just pass by to say hello, Stephane Richard is welcoming you.



Manage large chemical librairies

MEDIT is proud to announce the release of MED-Filter.

How to search compounds in large chemical libraries that you're the most interested in based on a rich list of filters, prepare files for MED-Ligand to search hybrids from the computational FBDD protocol ?

MED-Filter is available for free trial in the download section of this website (please login using a valid email address).

A video tutorial is available to learn how the graphical user interface is user-friendly, able to handle millions of compounds and to prepare files for the last step of the computational FBDD protocol which is identifying the compounds to test on you target.

Visit the MED-Filter tutorial video page



Website updates: Learning center and Evaluation


Computational Fragment-Based Drug Design videos files

A set of three videos is describing the computational fragment-based drug design protocol.

It is using data and web interfaces available in the download section.



Fragment (e.g. of a drug) repurposing using MED-SuMo on a full surface PDB protein database
Fragment repurposing by mining protein structures with MED-SuMo is described in a video available in the Learning Center. The results shown are published there: Identify drug repurposing candidates by mining the Protein Data Bank. Moriaud F, Richard SB, Adcock SA, Chanas-Martin L, Surgand J-S, Ben Jelloul M, Delfaud F. Briefings in Bioinformatics Advance Access published April 21, 2011.doi: 10.1093/bib/bbr017.

And the files shown and the Graphical User Interface available for free trial in the download section of this website (please login using a valid email address)

 



Free trial and Training videos

Please visite our download page: Download

You will find MED-SuMo and MED-Ligand graphical interfaces to download.

And also some free results to browse for Fragment-Based Drug Design and Fragment (Drug) Repurposing !

 

You just have to provide a valid email adress !



BIO International Convention
MEDIT will be exhibiting at the BIO International Convention, being held in Washington DC  from June 27th to June 30th, 2011. Stéphane Richard will welcome you at MEDIT booth 2505 - Hall B - France Pavilion.


GGMM 2011
MEDIT will be presenting at the GGMM meeting, being held in La Rochelle, France from May 30th to June 1st, 2011. François Delfaud will present a poster describing our recent R&D releases titled "Applications of pairwise comparison and classification of the ligand binding sitesin protein three-dimensional structures".


Meeting of the American Crystallographic Association

MEDIT will be presenting at the Meeting of the American Crystallographic Association, being held in New Orleans, Louisiana from May 28th to June 2nd, 2011. Stephane Richard will present a poster describing our recent R&D releases titled "Applications of pairwise comparison and classification of the ligand binding sitesin protein three-dimensional structures". MEDIT is welcoming you at the 211 booth



Target-based repurposing of PDB ligands and PDB ligand fragments

Identify drug repurposing candidates by mining the Protein Data Bank

 

 

SHORT ABSTRACT

In this review, the target-based drug repurposing using MED-SuMoand the MED-Ligand platform is described. The software allows browsing of the full surface of all proteins in the Protein Data Bank(PDB) and is capable of detecting site similarities and local similarities. Drug repurposing is described in terms of similar binding sites superpositions and illustrated with the repurposing of drug tadalafil from PDE5A to PDE4A. To investigate the potential of seeking for local similarities, we search a protein kinase hinge region against the full surface of all proteins in the PDB. We then retrieve experimentally validated examples including biotin carboxylase and synapsin with 60 other potential targets. Among them is the HIV-RT allosteric site which is indicating a potential application of fragment repurposing for druggable binding site detection.

KEY POINTS

  • Our target-based software can identify cases of drug repurposing on a rational structural basis.
  • Repurposing relies on the detection of 3D similarities between proteins and not on docking or scoring functions.
  • The entire PDB can be mined exhaustively in 3D for ligand repurposing. Example of PDE4/PDE5 is provided.
  • Ligand repurposing can be extended to fragments of ligand repurposing, Example of a protein kinase ligand fragment repurposed in biotin carboxylase, synapsin is given.
  • The protein kinase hinge region is detected mostly, but not exclusively, in purine binding sites. Its detection in the HIV-RT non-nucleosidic allosteric site indicates that target-based fragment repurposing could serve also as a druggable site detection method.

 

==> Goto Briefings in bioinformatics website



CHI Drug Discovery Chemistry in San Diego

MEDIT will be presenting at the CHI Drug Discovery Chemistry, being held in San Diego, California from April 12-14, 2011. Stephane Richard will give a talk in the session Kinase inhibitor chemistry titled "Mining exhaustively the PDB enables computational Fragment-Based Drug Design". MEDIT is welcoming you at the booth.

 



241st ACS National Meeting & Exposition

MEDIT will be presenting at the The 241st ACS National Meeting & Exposition, being held in Anaheim, California from March 27-31, 2011. Stephane Richard and François Delfaud will give a poster presentation titled "Applications of pairwise comparison and classification of the ligand binding sites in protein three-dimensional structures". MEDIT is welcoming you at the booth.



The 20th West Coast Protein Crystallography Workshop

MEDIT will be presenting at the 20th West Coast Protein Crystallography Workshop, being held in Monterey, California from March 20-23, 2011. Stephane Richard will give a poster presentation titled "Drug Discovery inspired by PDB mining: repurposing of drug fragments, fragment-based drug design, search allergen mimotopes". MEDIT is welcoming you at the booth.




6th German Conference on Chemoinformatics

MEDIT will be presenting at the 6th German Conference on Chemoinformatics, being held in Goslar, Germany from November 7-9, 2010. MEDIT CSO F. Moriaud will give a poster presentation titled "Computational FBDD upon PDB: exploring the diversity and the selectivity of hybridsof PDB ligand Portions". MEDIT is welcoming you at the booth.




MEDIT SA is proud to announce a strategic collaboration with the Sanford-Burnham Medical Research Institute
MEDIT SA is proud to announce the following strategic collaboration with the Sanford-Burnham Medical Research Institute:

LA JOLLA, Calif., October 4, 2010

Sanford-Burnham Pairs with MEDIT SA to Design

Smarter Drugs

Powerful new software matches aberrant proteins with compounds that could fix them.

LA JOLLA, Calif., October 4, 2010 – Scientists at Sanford-Burnham Medical Research Institute (Sanford-Burnham) are collaborating with scientists and software developers at MEDIT SA in France to use and enhance a new software platform built around a computer program called MED-SuMo. This platform searches protein structure databases to find compounds that bind to a particular target, and then helps optimize these “hits” to design new drugs.

“We believe that this collaboration with MEDIT significantly enhances our ability to perform structure-based drug design,” said Nicholas Cosford, Ph.D. associate professor in the Apoptosis and Cell Death Research Program in Sanford-Burnham’s Cancer Center and leader of the collaborative team. “MEDIT’s MED-SuMo software offers unique capabilities that will complement drug discovery platforms already being used in the Conrad Prebys Center for Chemical Genomics [CPCCG] at Sanford-Burnham.”

Here’s how the MEDIT technology works: Sanford-Burnham researchers select a protein they wish to target. Let’s say that this protein, Protein X, normally tells cells to divide, but when it malfunctions, it causes unchecked cell division that leads to a tumor. In an effort to uncover new anti-cancer drugs,  scientists want to find compounds that bind to the deviant Protein X and turn it off. Normally, it might take months or years of work and a stroke of luck to find the one needle-in-a-haystack compound that binds and inhibits Protein X without interfering with other proteins.

Dr. Cosford and his team are taking a more targeted approach to drug design with MEDIT’s software platform. MED-SuMo takes a 3D model of Protein X and breaks it down into pieces. Then the software digs through a publically available database containing more than 60,000 proteins with known structures to find “hits” – pieces that structurally resemble parts of Protein X, but are already known to bind certain compounds. MED-SuMo superimposes the matching hits on the structure of Protein X, allowing researchers to see a 3D image of the interaction. Chemical fragments bound to the hits will bind to Protein X in a similar fashion, forming the initial building blocks for a new drug.

Once MED-SuMo puts these pieces together, MEDIT technology takes drug design several steps further. Another program, called MED-Ligand, can optimize multiple hits by finding ways they could be combined to form a single hybrid drug compound that binds Protein X better and more selectively. The system can even screen out any combinations that couldn’t realistically be generated by chemists in the laboratory, as well as those that might harm other proteins or cause toxicity in humans.

“We’re using MEDIT’s software to look for highly effective drugs,” explained Peter Teriete, Ph.D., post-doctoral researcher in Dr. Cosford’s group. “The great thing about using MED-SuMo at Sanford-Burnham is that we’re also surrounded by drug discovery experts. So if I find something that looks good on the computer, I can work with chemists and assay developers to synthesize the compound in the lab and test it to determine whether or not it has the potential to become a new drug.”

The collaboration goes both ways – Dr. Teriete and others benefit from the software and MEDIT SA’s engineers benefit from their feedback on what works, what could work better, and what additional features would be helpful. Their ideas and experiences will enrich future versions of the MEDIT technology platform, making it an even more powerful tool for drug discovery.

“This agreement with Sanford-Burnham, a leading scientific institution in the U.S., is a great opportunity for our company,” said Stephane Richard, Ph.D., vice president of business development at MEDIT SA. “The collaborative nature of the deal and the involvement of our technology in a number of structure-based drug design efforts will allow researchers at Sanford-Burnham to capitalize on our scientists’ expertise in this field.”

For more information about Sanford-Burnham research, visit

http://beaker.sanfordburnham.org/.




Fragment-Based Lead Discovery  2010
MEDIT attends FBLD 2010, being held in Philadelphia,  from  October 10-13, 2010. MEDIT CEO François Delfaud  is presenting a poster:  "Computational FBDD upon PDB: exploring the diversity and the selectivity of hybrids of PDB Ligand Portions". MEDIT SA is welcoming you at its booth.



The Summit Series on the NAE Grand Challenges National Summit

MEDIT VP Business Development Stephane Richard is attending The Summit Series on the NAE Grand Challenges National Summit, being held in Los Angeles, from October 6 to 8, 2010.



EuroQSAR 2010

 

MEDIT is attending the EuroQSAR 2010, being held in Rhodes, Greece  from September 19 to 24, 2010. MEDIT CSO Fabrice Moriaud  is giving a talk in the Database mining session:  "Mining exhaustively the Protein Data Bank enables computational Fragment-Based Drug Design". MEDIT SA is welcoming you at its booth.


The slide presentation with audio is available

 

If needed, the codec can be dowloaded here:

https://www2.gotomeeting.com/codec

 



Annual meeting of the ACA

MEDIT will be presenting at the 2010 Annual Meeting of the American Crystallographic Association, being held in Chicago, July 24-29. Stephane Richard will give a poster presentation titled "Fast and automated functional classification with MEDP-SiteClassifier: an application on purine-binding protein".



239th American Chemical Society National Meeting & Exposition

MEDIT will be presenting at the ACS spring National meeting, being held in San Francisco, California, USA from  March 21-25, 2010. MEDIT CEO Francois Delfaud will give a  talk.  You will be able to discover and test our software for structure-based and Fragment-based Drug Design in our booth N°119 Hall B.



Structural Biology Conference

MEDIT will be presenting at the Structural Biology Conference, being held in Breckenridge, Colorado, USA from January 8-13, 2010. MEDIT CSO F. Moriaud will give a poster presentation titled "Computational fragment-based approach at PDB scale by protein local similarity".



5th German Conference on Chemoinformatics

MEDIT will be presenting at the 5th German Conference on Chemoinformatics, being held in Goslar, Germany from November 8-10, 2009. MEDIT CSO F. Moriaud will give a poster presentation titled "Computational fragment-based drug design to explore the hydrophobic sub-pocket of the mitotic kinesin Eg5 allosteric binding site"



eChemInfo conference 2009, Philadelphia, PA

MEDIT will be presenting at the eCheminfo conference being held in Bryn Mawr College, Philadelphia from 13-16 October 2009, 2009. MEDIT CEO Francois Delfaud will give a  talk.  You will be able to discover and test our software for structure-based and Fragment-based Drug Design in our booth.



Fragment-based Lead Discovery Conference 2009, York, UK

MEDIT will be presenting at the Fragment-based Lead Discovery Conference 2009 being held in York, UK  from  Sept. 21 - Sept. 23, 2009. MEDIT CSO Fabrice Moriaud will give a presentation.



Gordon Research Conference Computer Aided Drug Design, Tilton, NH

MEDIT will be presenting at the GRC Computer Aided Drug Design being held in Tilton, NH from  July 19 - July 24, 2009. MEDIT CSO Fabrice Moriaud will give a  poster presentation.



Structure-based Drug Design Conference, Boston, MA

MEDIT will be presenting at the CHI Structure-Based Drug Design Conference being held in the Royal Sonesta Hotel, Boston, MA, from june 4 to june 5 2009. You will be able to discover and test our software for structure-based and Fragment-based Drug Design in our booth.



BioIT World Conference, Boston, MA 

MEDIT will be presenting at the BioIT World Conference being held in Boston, MA from  April 27 - April 29, 2009. MEDIT application scientist Dr. Ksenia Oguevetskaia will give a poster presentation titled "Mitotic Kinesin Eg5 Inhibitors Generation By Computational MED-Portion Based Drug Design At PDB Scale"



Fragment-Based Techniques Conference, San Diego, CA

MEDIT will be presenting at the CHI Fragment-Based Techniques being held in Hilton San Diego Resort, San Diego, CA, from April 7 to April 8 2009. You will be able to discover our latest release in our booth for MED-SuMo, MED-Hybridise and pipeline pilot component.



eCheminfo Community of Practice InterAction Meeting, Bryn Mawr College, PA

MEDIT will be presenting at the eCheminfo Community of Practice InterAction Meeting PA from 2008 October 13 to 17. MEDIT CSO Fabrice Moriaud will give a presentation titled "Exploration of the Chemical Diversity Generated by the Hybridisation of PDB Ligands" during the PDB Ligands: Analysing their Structure & Binding Data session.

Dr Charles Andrianjara from Pierre Fabre laboratories will give a presentation on the results of the CARRIOCAS project wich involves MEDIT and Pierre Fabre laboratories titled "Chemogenomic Space Exploration: Use of MED-SUMO Tools to Analyse Target and Ligand Space of the Kinome" during the In Silico based Chemogenomics session.

 



236th ACS National Meeting & Exposition, Philadephia, PA

MEDIT will be presenting at the 236th ACS National Meeting & Exposition being held in Philadelphia, PA from 2008 August 17 to 21. MEDIT CEO François Delfaud will give a presentation titled "A fragment-based computational protocol upon PDB to fragment library design, lead discovery and lead optimization" during the Computational Approaches for Fragment Screening session of the conference (Division of Computers in Chemistry).



eCheminfo workshop, Oxford, UK

MEDIT will be demonstrating at the eCheminfo workshop on Drug Discovery & Planning Methods, a Hands-On Practice Approach, being held in Oxford University, Oxford, U.K.  from  July 21 - July 25, 2008. MEDIT CSO F. Moriaud will give a hands-on sessions titled "Discover MED-Hybridise for innovative Fragment-based Drug Design at PDB scale" Tuesday July 22nd 9.00-12.30 AM



Structure-based Drug Design Conference, Boston, MA

MEDIT will be presenting at the CHI Structure-Based Drug Design Conference being held in the World Trade Center, Boston, MA, from june 25 to june 27 2008. You will be able to discover our latest development in our booth: MED-SuMo, MED-Hybridise Lead discovery and  MED-Hybridise Lead optimization and pipeline pilot component.



New MEDIT website medit-pharma.com

The MEDIT SA website has evolved  from medit.fr to medit-pharma.com on June 27th 2008. The website is entirely new and includes our recent developments (2007/2008) around lead discovery and lead optimization.

Please visit applications for MED-SuMo and for our new software MED-Hybridise



Accelrys 2008 Science & Technology Forums, Paris, FR

MEDIT will be presenting at the Accelrys 2008 Science & Technology Forums, being held in Paris, France the june 12th, 2008. MEDIT Application scientist  L. Martin will give a presentation titled "MED-SuMo to mine the interaction surfaces in the PDB: Integration in Pipeline Pilot". The abstract of the talk is: 
"Take advantage of the structural information in the PDB and study protein interaction surface with MED-SuMo. Use our fragment database coming from PDB ligands to populate the query binding sites according to structural similarity. Then design new potential ligands with MED-Hybridiser. Here, we will show an application of both software combined to Pipeline Pilot components for Lead Discovery."



8th International Conference on Chemical Structures, Noordwijkerhout, NL

MEDIT will be presenting at the 8th International Conference on Chemical Structures being held in Noordwijkerhout, The Netherlands, from 2008 from june 1 to june 5. MEDIT CSO F. Moriaud, will give a presentation titled "A fragment-based computational protocol at PDB scale - Application to lead-optimization of DFG-out kinase inhibitors" during the Structure-Based Drug Design and Virtual Screening session of the conference.



Computer Aided Drug Design at Steamboat Springs, CO

MEDIT will be presenting at the Computer Aided Drug Design Keystone Symposia, being held in Steamboat Springs, Colorado from  March 29 - April 3, 2008. MEDIT CEO F. Delfaud will give a poster presentation titled "A fragment-based computational protocol upon PDB to explore multiple binding pockets: Application to scaffold decoration"



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