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Accelerate Drug Discovery with
       Novo Informatics

       www.novoinformatics.com
         Incubated : IIT Delhi



           © 2012 Novo Informatics
Why CADD?
 Faster, Cheaper and Reliable
 Computational studies are helpful to answer questions
  which remained unanswered from experimental
  methods
 CADD introduces more exciting and intuitive approach
  to Drug Discovery
 Computational scientists now work shoulder-to-shoulder
  with Experimentalist
 CADD has become a part of every pharmaceutical
  Research and Development unit


                      © 2012 Novo Informatics
Who We Are
 A leading Drug Discovery startup incubated in IITD
 We believe in innovation, speed and excellence in
  execution
 Our mission is to achieve our objectives in an
  environment of transparency, honesty, and courtesy
  towards our clients and employees
 We are committed for the betterment of human health
  and their quality of life
 We are currently looking for global partners and
  collaborators


                      © 2012 Novo Informatics
Our Expertise
 Analysis and modeling of target protein structure
 Active site prediction & Virtual screening
 Fragment-based design
 Hit-to-lead optimization
 Prediction of off-target susceptibility
 Customized chemical library design (library enumeration)
 ADMET Prediction
 Custom Molecule Synthesis
 Library synthesis
 Peptide Synthesis

                       © 2012 Novo Informatics
Our Discovery Pipeline
     Target Selection                            Single target
                                                 Dual target: polypharmacology

                                                 Libraries :
Screening Chemical Library                       Fragment library(Bioactive)
                                                 Focused library & targeted library
                                                 Synthetically approved molecule library

                                                 Diverse Scaffold identification
      Prioritize Hits                            Off target Susceptibility
                                                 Molecule synthesis
                                                 BioAssay based Identification of Hit

     Hit Optimization                            Hit evolution
                                                 Fragment expansion
       Hit-To-Lead                               Iterative Cycles (Validations)


                             © 2012 Novo Informatics
Our Asset: chemical libraries
 A comprehensive collection of
  multi-million drug-like                         Chemical Libraries
  commercially available
  compounds available for direct
  screening(million+)
 A collection of nearly 5000
  unique fragments
 Separate libraries for
  Proteases, Kinases, Ion-
                                                       Customized
  channels, Phosphatases, transp                       Fragments
  orters etc.                                          Target Specific
 American standards approved                          Open
  commercial libraries
                        © 2012 Novo Informatics
Technology
                         Active Site
                         Selection Module



                                     Unique Molecule
                                     libraries


DRUGONOV


                                     Customized
                                     filtering



                         Optimized package
                         for ADME predictions




           © 2012 Novo Informatics
Unique Disciplines
 Considering receptor plasticity by utilizing Multiple
  Receptor Conformation based Virtual High-throughput
  Screening
 Polypharmacology: designing compound which can work
  against more than one target. A method suitable for
  complex diseases such as Alzheimer’s Disease
 Library synthesis: Synthesizing compounds as well as
  library of analogues for experimental purpose




                      © 2012 Novo Informatics
Facilities
 Computing Engine

              Software                        Purpose
               ProteoNov              Protein structure prediction

              DRUGONOV              A complete screening package

                BAPPL                 Binding affinity prediction


 Computing power: The Supercomputing Facility for
  Bioinformatics & Computational Biology (SCFBio), IIT Delhi
 Experimental set up for undergoing compound synthesis and
  validations


                           © 2012 Novo Informatics
Services

• Target Optimization

• Screening & Bioassay based Hit Identification

• Hit to Lead Optimization(Iterative cycles)

• Molecule Synthesis

• Peptide Synthesis

• Phyto/Plant Chemistry

                            © 2012 Novo Informatics
Working                                      •       Exchange -Confidential Agreement s

Methodology       Disclosure
                                              •
                                              •
                                                      Consulting Agreements
                                                      Disclosure of invention/Discovery




                                              •       Target – Analysis
                                              •       Expert Opinions (Client side)
              Clarify                         •       Mode of research



                                                  •   Target – Analysis
                   Simplify                       •   Expert Opinions
                                                  •   Suitable Methodology
                                                  •   Possible opinions
                                                  •   Implementation
                                                  •   Interim reports



              Closure                             •   Result reports to Client




                    © 2012 Novo Informatics
Clients


                              MBiotech, UK
                 Project– Molecular Designing & Validations
                      Status–Successfully completed




Adhaere Pharmaceuticals, USA            Ellis Fischel Cancer Centre, Columbia, USA
  Project–Molecular Screening               Project–Complete Drug Discovery Project
       Status–Ongoing                                  Status–Ongoing




                             © 2012 Novo Informatics
Collaborations



                                       Griffith University
IIT Delhi     SCFBIO,IITD                    Australia




             © 2012 Novo Informatics
Team

Core Team
Prof B Jayaram       : Director & Cofounder
Mr. Sahil Kapoor     : Director & Cofounder(Head, Global Business Operations)
Mr. Avinash Mishra   : Director & Cofounder(Head, R&D Operations)
Dr. Sharad Gupta     : Sr. Scientist (Head, Chemistry Division)
Dr. Braham Prakash   : Sr. Scientist ( Chemistry Division)


Scientific Advisors
Dr. Chinmoy De       : Prof, School of Biological Sciences [IITD]
Dr. Aditya Mittal    : Associate Prof ., School of Biological Sciences[IITD]
Dr. Puneet Kacker    : Fellow.[Drug Discovery Dept.], Italian Institute of Italy



                               © 2012 Novo Informatics
Thank You

  © 2012 Novo Informatics

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CADD At Novo Informatics

  • 1. Accelerate Drug Discovery with Novo Informatics www.novoinformatics.com Incubated : IIT Delhi © 2012 Novo Informatics
  • 2. Why CADD?  Faster, Cheaper and Reliable  Computational studies are helpful to answer questions which remained unanswered from experimental methods  CADD introduces more exciting and intuitive approach to Drug Discovery  Computational scientists now work shoulder-to-shoulder with Experimentalist  CADD has become a part of every pharmaceutical Research and Development unit © 2012 Novo Informatics
  • 3. Who We Are  A leading Drug Discovery startup incubated in IITD  We believe in innovation, speed and excellence in execution  Our mission is to achieve our objectives in an environment of transparency, honesty, and courtesy towards our clients and employees  We are committed for the betterment of human health and their quality of life  We are currently looking for global partners and collaborators © 2012 Novo Informatics
  • 4. Our Expertise  Analysis and modeling of target protein structure  Active site prediction & Virtual screening  Fragment-based design  Hit-to-lead optimization  Prediction of off-target susceptibility  Customized chemical library design (library enumeration)  ADMET Prediction  Custom Molecule Synthesis  Library synthesis  Peptide Synthesis © 2012 Novo Informatics
  • 5. Our Discovery Pipeline Target Selection Single target Dual target: polypharmacology Libraries : Screening Chemical Library Fragment library(Bioactive) Focused library & targeted library Synthetically approved molecule library Diverse Scaffold identification Prioritize Hits Off target Susceptibility Molecule synthesis BioAssay based Identification of Hit Hit Optimization Hit evolution Fragment expansion Hit-To-Lead Iterative Cycles (Validations) © 2012 Novo Informatics
  • 6. Our Asset: chemical libraries  A comprehensive collection of multi-million drug-like Chemical Libraries commercially available compounds available for direct screening(million+)  A collection of nearly 5000 unique fragments  Separate libraries for Proteases, Kinases, Ion- Customized channels, Phosphatases, transp Fragments orters etc. Target Specific  American standards approved Open commercial libraries © 2012 Novo Informatics
  • 7. Technology Active Site Selection Module Unique Molecule libraries DRUGONOV Customized filtering Optimized package for ADME predictions © 2012 Novo Informatics
  • 8. Unique Disciplines  Considering receptor plasticity by utilizing Multiple Receptor Conformation based Virtual High-throughput Screening  Polypharmacology: designing compound which can work against more than one target. A method suitable for complex diseases such as Alzheimer’s Disease  Library synthesis: Synthesizing compounds as well as library of analogues for experimental purpose © 2012 Novo Informatics
  • 9. Facilities  Computing Engine Software Purpose ProteoNov Protein structure prediction DRUGONOV A complete screening package BAPPL Binding affinity prediction  Computing power: The Supercomputing Facility for Bioinformatics & Computational Biology (SCFBio), IIT Delhi  Experimental set up for undergoing compound synthesis and validations © 2012 Novo Informatics
  • 10. Services • Target Optimization • Screening & Bioassay based Hit Identification • Hit to Lead Optimization(Iterative cycles) • Molecule Synthesis • Peptide Synthesis • Phyto/Plant Chemistry © 2012 Novo Informatics
  • 11. Working • Exchange -Confidential Agreement s Methodology Disclosure • • Consulting Agreements Disclosure of invention/Discovery • Target – Analysis • Expert Opinions (Client side) Clarify • Mode of research • Target – Analysis Simplify • Expert Opinions • Suitable Methodology • Possible opinions • Implementation • Interim reports Closure • Result reports to Client © 2012 Novo Informatics
  • 12. Clients MBiotech, UK Project– Molecular Designing & Validations Status–Successfully completed Adhaere Pharmaceuticals, USA Ellis Fischel Cancer Centre, Columbia, USA Project–Molecular Screening Project–Complete Drug Discovery Project Status–Ongoing Status–Ongoing © 2012 Novo Informatics
  • 13. Collaborations Griffith University IIT Delhi SCFBIO,IITD Australia © 2012 Novo Informatics
  • 14. Team Core Team Prof B Jayaram : Director & Cofounder Mr. Sahil Kapoor : Director & Cofounder(Head, Global Business Operations) Mr. Avinash Mishra : Director & Cofounder(Head, R&D Operations) Dr. Sharad Gupta : Sr. Scientist (Head, Chemistry Division) Dr. Braham Prakash : Sr. Scientist ( Chemistry Division) Scientific Advisors Dr. Chinmoy De : Prof, School of Biological Sciences [IITD] Dr. Aditya Mittal : Associate Prof ., School of Biological Sciences[IITD] Dr. Puneet Kacker : Fellow.[Drug Discovery Dept.], Italian Institute of Italy © 2012 Novo Informatics
  • 15. Thank You © 2012 Novo Informatics