INFORMATICS 2.pptx

• INTRODUCTION TO INFORMATICS
• DEFINATION AND APPLICATION OF
BIOINFORMATICS
CHEMOINFORMATICS
ADME DATABASE
CHEMICAL DATABASE
BOCHEMICAL DATABASE
PHARMACEUTICAL DATABASE

 Informatics is the study of the structure,
behaviour, and interactions of natural and
engineered computational systems.

Informatics studies
the representation,
processing, and
communication of
information in natural
and engineered
systems. It has
computational,
cognitive and social
aspects

TYPES OF INFORMATICS:-
Clinical informatics.
Clinical research informatics.
Consumer health informatics.
Dental informatics.
Mental health informatics.
Nursing informatics

DEFINITION :-
Bioinformatics is a subdiscipline of biology and computer science concerned
with the acquisition, storage, analysis, and dissemination of biological data, most
often DNA and amino acid sequences.

APPLICATIONS OF BIOINFORMATICS:-
 Genome Annotation
 Protein Structure Prediction
 Proteomics
 DNA Chip Technology
 Disease Diagnostics
 Fingerprinting Technique
 Drug/ Vaccine design

Bioinformatics Tools
geWorkbench
BioPerl
UGENE Open Source Bioinformatics Tool Linux
Biojava Bioinformatics Tool for Linux
Biopython Test Genomic Software
InterMine
IGV Genomic Sequencing Tool
GROMACS
Taverna Workbench
EMBOSS Bioinformatics Tool Linux
Clustal Omega
BLAST
Bedtool
Bioclipse Open Source Bioinformatics Tool
Bioconductor

DEFINITION :-
Cheminformatics is a relatively new field of information
technology that focuses on the collection, storage, analysis, and
manipulation of chemical data

APPLICATIONS OF CHEMOINFORMATICS:-
To Detect Chemical Information
All fields of chemistry prediction of the physical, chemical, or biological
properties of compounds
 Analytical Chemistry analysis of data from analytical chemistry to make
predictions on the quality, origin, and age of the investigated objects
Organic Chemistry
 Drug Design
a) Identification of new lead structures
b) Optimization of lead structures
c) Establishment of quantitative structure activity relationships
d) Comparison of chemical libraries
e) Definition and analysis of structural diversity planning of
chemical libraries
f) Analysis of high-throughput data
g) Docking of a ligand into a receptor
h) de novo design of ligands .

TOOLS OF CHEMOINFORMATICS:-
ChemDraw
ChemWindow
ChemSketch
ChemReader
JME Molecular Editor
LogCHEM
PLSR (PLS-Regression)
Wendi
DIVA (Diverse Information, Visualization and Analysis)
ChemTK,
 Chimera,
 CLIFF,
 Dragon,
 gOpenMol,
 Grace,
 JOELib,
 Jmol, IA_LOGP,
 Lammps,

DATABASE:-
A database is an organized collection of data stored and accessed electronically.
Small databases can be stored on a file system, while large databases are hosted on
computer clusters or cloud storage.
WHAT IS ADME DATABASE?
An online database service that specializes in
pharmacokinetic information.
It contains more than 130,000 data on
metabolizing enzymes (mainly cytochrome
P450s) and transporters involved in drug
absorption, distribution, metabolism and
excretion.

APPLICATIONS OF ADME DATABASE:-
ADME Database provides human clinical drug interaction data in addition
to the existing in vitro inhibition data

TOOLS OF ADME DATABASE:-
•SwissADME:-

 A chemical database is a database specifically designed to
store chemical information. This information is about chemical
and crystal structures,spectra, reactions and syntheses, and
thermophysical data.
 Chemical databases are becoming a powerful tool in drug
discovery. Database searches based on possible requirements
for biological activity can identify compounds that might be
suitable for further analysis or indicate novel ways to achieve
the desired activity.
DEFINITION:-

Bioactivity database
Chemical structures
Literature database
Crystallographic database
NMR spectra database
Reactions database
Thermophysical database

TOOLS FOR CHEMICAL DATABAES:-
3DMET
Chematica
Chemical Book
Pubchem
ScrubChem
UV/VIS Spectral Atlas
Evaluated Kinetic Data

DEFINITION:-
 The biological data base is also Known as
Biological data base
 Biological databases are libraries of biological
sciences, collected from scientific experiments,
published literature, high-throughput experiment
technology, and computational analysis.

CLASSIFICATION OF BIOLOGICOL DATABASE
PRIMARY DATA
ex: Swiss-Prot and PIR for protein sequences
GenBank and DDBJ for genome sequences
Protein Databank for protein structures
SECONDARY DATA
ex:-SCOP at Cambridge University
CATH at the University College of London
PROSITE of the Swiss Institute of Bioinformatics
eMOTIF at Stanford
COMPOSITE DATA

DEFINITION:-
The Pharmaceutical Database is a service aimed at
professionals, containing harmonised and up-to-date
information about medicines and medicinal substances
for the purpose of prescribing and dispensing medicines.
The information in the Pharmaceutical Database must
be updated in the pharmacy and patient data systems on
the 1st and 15th day of each month.

Use of pharmaceutical data base:-
The Pharmaceutical Database can be used for the prescribing, dispensing
and reimbursing of medicines
The Pharmaceutical Database can also be used for the services referred to
in the Act on the Electronic Processing of Client Data in Social and Health Care
Services and for purposes related to the supply of medicines for healthcare
organisations

INFORMATICS 2.pptx

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INFORMATICS 2.pptx