1. GVK BIO Informatics
ICIC 2013
Sreeni Devidas Ph.D.
Vice President Business Development

2. Industry Recognition

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. 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. 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. G
Value addition through scientific data after
stringent data mining and quality process

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. 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. 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. 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. 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. 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. Thank You
Netherlands office opening soon