CADD At Novo Informatics


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CADD At Novo Informatics

  1. 1. Accelerate Drug Discovery with Novo Informatics Incubated : IIT Delhi © 2012 Novo Informatics
  2. 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. 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. 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. 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. 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. 7. Technology Active Site Selection Module Unique Molecule librariesDRUGONOV Customized filtering Optimized package for ADME predictions © 2012 Novo Informatics
  8. 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. 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. 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. 11. Working • Exchange -Confidential Agreement sMethodology 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. 12. Clients MBiotech, UK Project– Molecular Designing & Validations Status–Successfully completedAdhaere Pharmaceuticals, USA Ellis Fischel Cancer Centre, Columbia, USA Project–Molecular Screening Project–Complete Drug Discovery Project Status–Ongoing Status–Ongoing © 2012 Novo Informatics
  13. 13. Collaborations Griffith UniversityIIT Delhi SCFBIO,IITD Australia © 2012 Novo Informatics
  14. 14. TeamCore TeamProf B Jayaram : Director & CofounderMr. 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 AdvisorsDr. 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. 15. Thank You © 2012 Novo Informatics