DDP Professional Services 2017

Drug Discovery Platform

Andrea R. Beccari, PhD

Drug Discovery Platform Manager

1

• Description

• Solution

• Team & Network

“I skate to where the puck is going to be, not where it has been” Wayne Gretzky

“Talent wins games, but teamwork and intelligence wins championships.” Michael Jordan

Description

AR Beccari | Drug Discovery Platform 2

The core of the service is the combination of computational tools with the highest level of quality ofchemical libraries for biological screening along with an innovative strategy for lead identification.

The Drug Discovery Platform has been created in 2006, isolated by Dompe’infrastructure, to provide services to support drug discovery programs ofinternal and external clients and the infrastructure guarantee confidentialityand data isolation with the highest level of security. The group has heavilyinvested in internal research programs to develop unique tools for drugdiscovery in order to enforce the entire drug discovery process from targetidentification (GPCRBase™) trough hit finding (IDDN Library, LigandBase™ andLiGen™) to the selection of high content lead series (Molecular Frameworks™)with the final goal to generate the most effective drug discovery platform.

Proprietary chemical libraries and unique computational tools are the pillars ofthe competitive advantage of the group.

Core business

Description

AR Beccari |Drug Discovery Platform 3

The DDP is physically and logically isolated from the Dompe’ corporate to guarantee the isolation of customer’s data with the most advanced security technology*

Full physical and logical Isolation of the infrastructure

*Microsoft Direct Access, Smart Card authentication

Solution


As a professional service providerfor more than 20 successfulexternal projects so far, we are costeffective and goal oriented. We usestate of the art of projectmanagement tools and the qualityof our services is recognized by ourcustomers.

As part of the CNR we have accessto state of the art competence andinfrastructures. This integration ispivotal in our strategy to maintainhigh the cross fertilization and theinnovation attitude of the group.

The model through which the DDP provides its services is the “Insourcing network”. This means thatDDP develops focused solutions specific for each client and project by the combination of thepeculiarity and expertise of internal team and of a series of long standing collaborators. This modelallows to pick up focused competences and to build up a virtual workgroup tailored for each task andproject while maintaining the leadership and the control of all the activities. Insourcing networkcombines the best features of all the Drug Discovery models.

As part of Dompé R&D we areconscious of the needs of otherPharma clients. We have developedcompetences in more than 10 yearsand more than 10 internal projectsin pharma R&D.

Dompé attitude for innovationpromote developing peculiarstrategies for drug discovery thatare the core of our competitiveadvantage.

As coordinator of several pre-competitive consortiums we have aunique network of collaborations.We have already demonstrated tobe able to build up platforms andassets leveraging the PPP model.Our Key asset Ligen™ have beenrecognized by the EC with a H2020grant. IDDN has produced manyassets and visibility. AvicennaAlliance is the most accreditedgroup of interest in predictivemedicine in Europe and in USA.

CROs AcademiaPharma/Biotech Public Private Partnerships

Insourcing Network Model

Solution

5

• IDDN Library

• Safe in Man Library

• Drug Design

• Cheminformatics

• Library Design

• Medical Chemistry

• High Throughput Screening Data Analysis

• Project Management

• Data Analytics

• Bioinformatics

The DDP had already developed, deployed and validate different proprietary and innovative assets which gave itcompetitive advantage over competitors through combination of proprietary tools and chemical libraries and a unique mixof strategies and skills. This peculiar integration between assets and screening strategies already gave DDP advantagesover competitors in such a challenging market.

• LiGen™

• GPCRBase™

• LigandBase™

• Molecular Frameworks

• Tangible Chemical Space

• Unique and effective strategy for Hit Finding and Hit to Lead

• Unique integrate approach for scaffold prioritization based in the signaling and the mechanism of action

• Strategic Partnerships

Chemical Libraries

Tangible

Proprietary Assets

Computational Tools Skills

(In)tangible

Strategy

AR Beccari | Drug Discovery Platform

Solution


• DDP spent the last 12 years in the development of unique assets to guarantee a competitive advantages of Dompe’ R&D

• LiGen™• Unique tool for HPC Virtual Screening elected by the European Commission ad a Future

and Emerging Technology in H2020 framework

• GPCRBase™• In Silico Target Identification and design of Allosteric Modulators of GPCRs

• Molecular Frameworks• Multi dimensional network representation of HTS data and SAR analysis

• Tangible Chemical Space• High quality virtual library based on very accurate and robust chemical reactions and

commercially available building blocks (> 300Bio of molecules)

Unique Assets

Solution


The LiGen modules can be used independently from each other or combined together. The modulescan be invoked at compilation step so executable is much more performing than pre or postprocessing operation.

LiGen™: Virtual Screening Tool designed to run un Super Computer Architectures

LiGenPASS

LiGenPocket

LiGenScore

LiGenMD

PDB

Molecule

LiGenDock

LiGenPH4

Solution


A knowledge-based system for drug discovery devoted to identify druggable GPCRsbased on local homologies

GPCRBase™: a tool for genome-wide discovery tool for GPCRs allosteric sites

Solution


Flexible and unbiased molecular scaffold based metrics to cluster large set of compoundsand analyze in a fast and efficient way the HTS data generated by the use of diverse librariesof chemical compounds. defined to introduce multi-dimensional hierarchies between thescaffolds in order to allow an efficient navigation of the results in the scaffold space.

Molecular Frameworks: Hierarchical metrics for effective HTS Data analysis and SAR development

Solution


Drug Discovery Platform will provide

• Drug Discovery Services• Hit Finding• Hit to Lead• Lead Optimization• Drug Repurposing• Antibody Design (Resis and undiscloded Pharma Partner) (Q2-2017)

• Development Services (Avicenna Alliance) (Q4-2017)• Precision/Predictive Medicine• In silico clinical trials

• Products• Ultra High Performance Virtual Screening Cloud Services with LiGen™ (Q1-2017)• Ultra High Performance Virtual Screening Appliance with LiGen™ (Q3-2017)

Product & Services

Gray indicate product and services under feasibility study

Solution


Moreover the unique skills in developing different in silico models to select molecules with diversemechanism of action allowed us, despite Galapagos, to identify both orthosteric and allostericcompounds

Competitive Advantage: One Integrated Asset

Strategy Round 1 (Hit Rate %) Round 2 (Hit Rate %) Round 3 (Hit Rate %)

DDP (IDDN Library) 1.4 3 35

Galapagos 1.2

“ Galapagos is very pleased with the drug discovery research done by Dompé, both with the approach and with the goodresults that your team obtained. […] To show our appreciation for the excellent work, Galapagos offers to pay 50% of thesuccess milestone, to be followed by further work.”Andre Hoekema, Senior VP Corporate Development - Galapagos

The competitive advantage of the DDP lies in the unique strategy for heat finding. The DDP startsfrom focused and more informative libraries and uses an incremental (multiple rounds) screeningstrategy which enhances 30X the hit rate of the process.

Team


DDP keeps

in house the

key competence

and …

Organizational Structure

Manager

Chemistry Biology CADD

Cheminformatics Virtual Screening

ADMET/PK

ICTProject

Management

Network


• CINECA (Italian Super Computer Centre)• > 250K CPU cores (1 Million cores in Q2 2017)• Ultra High Throughput Virtual Screening with LiGen™

• AXXAM• High Throughput screening• Mechanism of Action

• Undisclosed• SMW Chemistry• Peptide Chemistry• ADMET/PK• (Phenotypic Screens)

• CNR• Biology• Imaging

• Italian Drug Discovery Network• Avicenna Alliance (Predictive Medicine)

…DDP is the

center of a

network

of excellence

Key Partners

Drug Discovery PlatformAndrea R. Beccari, PhD

Drug Discovery Platform Manager

[email protected]

0039 (333) 4141831

“Insanity: doing the same thing over and over again and expecting different results”Albert Einstein

“Anyone who has never made a mistake has never tried anything new” Albert Einstein

https://it.linkedin.com/in/andreabeccari

DDP Professional Services 2017

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