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GVK BIO Informatics
ICIC 2013
Sreeni Devidas Ph.D.
Vice President Business Development
Industry Recognition
GVK BIO INFORMATICS
COMPLETE SOLUTION FROM KNOWLEDGE MANAGEMENT TO PREDICTIVE ANALYTICS

- Patents, Journals
- Public Doma...
KNOWLEDGE BASE

CTOD
Clinical Trial Outcome Database
A web-based application

A web based biomarker
database

Key Differen...
KNOWLEDGE BASE DEVELOPMENTCUSTOM DATA CURATION FOR FIVE LEADING DATABASE PROVIDERS

REACTIONS

CURATION FROM
JOURNAL ARTIC...
G

Value addition through scientific data after
stringent data mining and quality process
Multi dimensional relational data

With One

Of

You Can Explore Data from

CLICK

Chemical
space

Pharmaco
logical
Space
...
Data Sources
Pharmacological
Journals
Patents
(US, WO, EP, GB, JP)

Company web sites,
Conferences

Medicinal Chemistry
Jo...
DatabasesIntegrated in GOSTAR
Databases Integrated in GOSTAR

Records curated from
medicinal chemistry
journals

Contains ...
Many publications using GOSTAR database
S.No

Title

1

Systematic exploration of dual-acting modulators
from a
combined m...
GOSTAR database- list of publications
S.no

1

2

3

4

5

6

7

8

Title
Publication
Authors
Systematic exploration of du...
Contd..
9

10

11

12
13
14

15

16

17

Hongming Chen, Ulf Borjesson,
Ola Engkvist, Thierry Kogej, Mats
ProSAR: A New Met...
Thank You
Netherlands office opening soon
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ICIC 2013 New Product Introductions GVK Bio Informatics

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Transcript of "ICIC 2013 New Product Introductions GVK Bio Informatics"

  1. 1. GVK BIO Informatics ICIC 2013 Sreeni Devidas Ph.D. Vice President Business Development
  2. 2. Industry Recognition
  3. 3. GVK BIO INFORMATICS COMPLETE SOLUTION FROM KNOWLEDGE MANAGEMENT TO PREDICTIVE ANALYTICS - Patents, Journals - Public Domain Information - Client’s Proprietary data Annotation & Scientific Data Management - Predictive Biology - Drug Repurposing - Clinical Pharmacology - Application Development - Application Integration - Application Management Knowledge Base Predictive Analytics BIO IT - Small Molecules SAR - Biomarker - Clinical Trial Outcome Environmental Modelling and Eco-Tox Risk Assessment IPR - Prior Art search - FTO search - Novelty search - PEC Assessment Reports - Environmental Fate Registration Report - Eco toxicological Risk Assessment
  4. 4. KNOWLEDGE BASE CTOD Clinical Trial Outcome Database A web-based application A web based biomarker database Key Differentiators 6.3 million small  26,000 biomarkers  ~ 1 Mn patients molecules   17 therapeutic  2,200 trials areas  19 Indications  16 million SAR points  (2.9 million Patents,  840 indications 350,000 Journals)  (100,000 references) (150,000 references) • • • • • Comprehensiveness Current-ness Usability Comprehendability Credibility
  5. 5. KNOWLEDGE BASE DEVELOPMENTCUSTOM DATA CURATION FOR FIVE LEADING DATABASE PROVIDERS REACTIONS CURATION FROM JOURNAL ARTICLES 3 Million Reactions throughput per year Curation and Indexing of Life Sciences and Toxicology Journals Developed Advanced Curation Tools to Improve Productivity CLINICAL DATA CURATION Throughput of 600,000 Journals per annum Throughput of 50,000 Key Differentiators Trials per annum 200,000 Journals per annum • • • • • Comprehensiveness Current-ness Usability Comprehendability Credibility
  6. 6. G Value addition through scientific data after stringent data mining and quality process
  7. 7. Multi dimensional relational data With One Of You Can Explore Data from CLICK Chemical space Pharmaco logical Space Literature Space Chemical Structures 6.3 million SAR Activities ~ 16 million Literature Screened 3.5 million Scaffolds Pharmacokinetics/Metabo lism 1.4 million Patents 0.07 million (3.2 M Screened) Targets 6200+ Articles 0.3 million ~1.1 million Frameworks or Cores 150,000 Clinical, Marketed & Toxic Area Clinical Compounds ~ 24,500 Drugs ~4750 Toxic Compounds 26,100
  8. 8. Data Sources Pharmacological Journals Patents (US, WO, EP, GB, JP) Company web sites, Conferences Medicinal Chemistry Journals FDA/EMEA Docs Scientific Reviews Clinical Trail Registries Manual curation with three levels of quality check Standard Ontology for the data fields Regular monthly data updates
  9. 9. DatabasesIntegrated in GOSTAR Databases Integrated in GOSTAR Records curated from medicinal chemistry journals Contains data on the toxicity, routes of metabolism, organspecies-effects of toxicity Med-Chem Database Natural Product Database Target Databases Mechanism based Toxicity Database Drug Database Clinical Candidate Database Records curated from journals and patents. Popular target families like GPCR, Kinase, NHR, Peptidases etc Contains information on launched drugs Compounds that have crossed the IND phase and either ARE or WERE in the Clinical Phase
  10. 10. Many publications using GOSTAR database S.No Title 1 Systematic exploration of dual-acting modulators from a combined medicinal chemistry and biology perspective 2 Molecular clinical safety intelligence: a system for bridging clinically focused safety knowledge to early-stage drug discovery – the GSK experience Drug Discovery Today Volume 16, Numbers 15/16 August 2011 3 What Do Medicinal Chemists Actually Make? A 50-Year Retrospective Journal Of Medicinal Chemistry April 25, 2011 4 Analysis of in vitro bioactivity data extracted from drug discovery literature and patents: Ranking 1654 human protein targets by assayed compounds and molecular scaffolds Journal of Cheminformatics 2011, 3:14 5 Publication Journal Of Medicinal Chemistry Jan 3, 2013 Are There Differences between Launched Drugs, Kazuki Ohno, Yuichi Nagahara, Clinical Candidates, and Commercially Available Kazuhisa Tsunoyama, and Masaya Orita Compounds? Company
  11. 11. GOSTAR database- list of publications S.no 1 2 3 4 5 6 7 8 Title Publication Authors Systematic exploration of dual-acting Journal Of Medicinal Chemistry Aurelie Bornot, Udo Bauer, Alastair modulators from a Jan 3, 2013 Brown, Mike Firth, Caroline combined medicinal chemistry and biology Hellawell, and Ola Engkvist perspective Dana E. Vanderwall, Nancy Yuen,*, Molecular clinical safety intelligence: Mohammad Al-Ansari, James Bailey, Drug Discovery Today Volume a system for bridging clinically focused David Fram, 16, Numbers 15/16 August safety knowledge to early-stage drug Darren V.S. Green, Stephen Pickett, 2011 discovery – the GSK experience Giovanni Vitulli, Juan I. Luengo and June S. Almenoff W. Patrick Walters,* Jeremy Green, What Do Medicinal Chemists Actually Journal Of Medicinal Chemistry Jonathan R. Weiss, and Mark A. Make? A 50-Year Retrospective April 25, 2011 Murcko Analysis of in vitro bioactivity data extracted from drug discovery literature Christopher Southan, Kiran Journal of Cheminformatics and patents: Ranking 1654 human protein Boppana, Sarma A.R.P. Jagarlapudi, 2011, 3:14 targets by assayed compounds and Sorel Muresan molecular scaffolds Physicochemical property profiles of Christian Tyrchan, Niklas Blomberg, Bioorg. Med. Chem. Lett. 2009, marketed drugs, clinical candidates and Ola Engkvist, Thierry Kogej, Sorel 19 (24), 6943-6947 bioactive compounds Muresan Escape from Flatland: Increasing Saturation J. Med. Chem., 2009, 52, 6752Frank Lovering, Jack Bikker, as an Approach to Improving Clinical 6756 Christine Humblet Success Quantitative assessment of the expanding complementarity between public and Journal of Cheminformatics, Christopher Southan, Peter commercial databases of bioactive 2009, 1:10, 1-17 Varkonyi, Sorel Muresan compounds Josefin Rosen, Johan Gottfries, Sorel Novel Chemical Space Exploration via J. Med. Chem., 2009, 52 (7), Muresan, Anders Backlund, Tudor I. Natural Products 1953-1962 Oprea Company
  12. 12. Contd.. 9 10 11 12 13 14 15 16 17 Hongming Chen, Ulf Borjesson, Ola Engkvist, Thierry Kogej, Mats ProSAR: A New Methodology for J. Chem. Inf. Model., 2009, 49 A. Svensson, Niklas Blomberg, Dirk Combinatorial Library Design (3), 603-614 Weigelt, Jeremy N. Burrows, Tim Lange Josef Scheiber, Bin Chen, Mariusz Milik, Sai Chetan K. Sukuru, Gaining insight into off-target mediated Andreas Bender, Dmitri Mikhailov, effects of drug candidates with a J. Chem. Inf. Model., 2009, 49, Steven Whitebread, Jacques comprehensive systems chemical biology 308-317 Hamon, Kamal Azzaoui, Laszlo analysis Urban, Meir Glick, John W. Davies, Jeremy L. Jenkins Visual exploration of structure-activity J Comput Aided Mol Des., 2008, relationship using maximum common Sung Jin Cho, Yaxiong Sun 22, 571-578 framework Kinase-likeness and Kinase-Privileged Alex M. Aronov, Brian McClain, J. Med. Chem., 2008, 51, 1214Fragments: Toward Virtual Cameron Stuver Moody, Mark A. 1222 Polypharmacology Murcko The influence of drug-like concepts on Nature Reviews: Drug Paul D. Leeson, Brian decision-making in medicinal chemistry Discovery, 2007, 6, 881-890 Springthorpe Complementarity Between Public and Current Topics in Medicinal Christopher Southan, Peter Commercial Databases: New Opportunities Chemistry, 2007, 7, 1502-1508 Varkonyi, Sorel Muresan in Medicinal Chemistry Informatics Drug Discovery Today, Vol. 12, Outsourcing lead optimization: constant No. 1/2, 2007, 62-70 David E. Clark change is here to stay Shape Signatures: speeding up computer Drug Discovery Today, Vol. 11, aided drug discovery No. 19/20, 2006, 895-904 Peter J. Meek, ZhiWei Liu, LiFeng Tian, Ching Y. Wang, William J. Welsh, Randy J. Zauhar Dependence of Molecular Properties on J. Med. Chem., 2006, 49, 3451Michal Vieth, Jeffrey J. Sutherland Proteomic Family for Marketed Oral Drugs 3453
  13. 13. Thank You Netherlands office opening soon
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