alexa Basic Pharmacophore Mapping Of A Set Of Plant Derived Anti-inflammatory Compounds Through Autodock Vina
ISSN: 2167-0501

Biochemistry & Pharmacology: Open Access
Open Access

OMICS International organises 3000+ Global Conferenceseries Events every year across USA, Europe & Asia with support from 1000 more scientific Societies and Publishes 700+ Open Access Journals which contains over 50000 eminent personalities, reputed scientists as editorial board members.

Open Access Journals gaining more Readers and Citations

700 Journals and 15,000,000 Readers Each Journal is getting 25,000+ Readers

This Readership is 10 times more when compared to other Subscription Journals (Source: Google Analytics)

Share This Page

Additional Info

Loading
Loading Please wait..
 

International Conference on Pharmacognosy, Phytochemistry & Natural Products
October 21-23, 2013 Radisson Blu Plaza Hotel, Hyderabad, India

Shilpa Chatterjee and Souvik Basak
Posters: Biochem & Pharmacol
DOI: 10.4172/2167-0501.S1.003
Abstract
Plant based research have led to isolation of myriads of compounds which are reported to have anti-inflammatory activity. But approaches are lacking to design a basic pharmacophore harbouring the potential of inflammation-antagonistic action, together with encompassing the possibility of finding a lead for synthesizing anti-inflammatory class of compounds. As a control study in this aspect, we have chosen a set of such plant borne compounds with anti-inflammatory activity and subjected them to virtual screening by receptor-ligand interaction. The receptor-ligand binding studies have been performed by Autodock Vina where the dock scores have been generated as compounds? binding affinities towards the receptor. Two direct inflammatory pathway enzymes cyclooxygenase- 1 (COX-1) and cyclooxygenase-2 (COX-2) have been chosen as potential receptors and subjected to docking via whole receptor-ligand fitting model. Each compound generated nine possible conformers for receptor fitting with binding affinities as dock scores. The conformation revealing highest binding affinity was adopted as the best active conformation of the associated compound. Thus, a best active conformer based library has been constructed encompassing all the plant derived compounds; from which five superior structures have been used as templates to map the core pharmacophore. To validate the pharmacophore-receptor interaction, amino acid mapping in the ligand binding domain has also been performed. Furthermore, to analyze the receptor-ligand complex, studies involving RMSD calculation to their original lead as well as different bonding interactions have also been undertaken.
image PDF   |   image HTML
 
Peer Reviewed Journals
 
Make the best use of Scientific Research and information from our 700 + peer reviewed, Open Access Journals
International Conferences 2017-18
 
Meet Inspiring Speakers and Experts at our 3000+ Global Annual Meetings

Contact Us

Agri, Food, Aqua and Veterinary Science Journals

Dr. Krish

[email protected]

1-702-714-7001 Extn: 9040

Clinical and Biochemistry Journals

Datta A

[email protected]

1-702-714-7001Extn: 9037

Business & Management Journals

Ronald

[email protected]

1-702-714-7001Extn: 9042

Chemical Engineering and Chemistry Journals

Gabriel Shaw

[email protected]

1-702-714-7001 Extn: 9040

Earth & Environmental Sciences

Katie Wilson

[email protected]

1-702-714-7001Extn: 9042

Engineering Journals

James Franklin

[email protected]

1-702-714-7001Extn: 9042

General Science and Health care Journals

Andrea Jason

[email protected]

1-702-714-7001Extn: 9043

Genetics and Molecular Biology Journals

Anna Melissa

[email protected]

1-702-714-7001 Extn: 9006

Immunology & Microbiology Journals

David Gorantl

[email protected]

1-702-714-7001Extn: 9014

Informatics Journals

Stephanie Skinner

[email protected]

1-702-714-7001Extn: 9039

Material Sciences Journals

Rachle Green

[email protected]

1-702-714-7001Extn: 9039

Mathematics and Physics Journals

Jim Willison

[email protected]

1-702-714-7001 Extn: 9042

Medical Journals

Nimmi Anna

[email protected]

1-702-714-7001 Extn: 9038

Neuroscience & Psychology Journals

Nathan T

[email protected]

1-702-714-7001Extn: 9041

Pharmaceutical Sciences Journals

John Behannon

[email protected]

1-702-714-7001Extn: 9007

Social & Political Science Journals

Steve Harry

[email protected]

1-702-714-7001 Extn: 9042

 
© 2008-2017 OMICS International - Open Access Publisher. Best viewed in Mozilla Firefox | Google Chrome | Above IE 7.0 version
adwords