alexa Comparative Molecular Modeling Study Between The Pre-fusion And Post-fusion Conformations Of Newcastle Disease Virus: Homology Modeling, And Virtual Screening
ISSN: 2161-0444

Medicinal chemistry
Open Access

Like us on:
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 Please wait..

3rd International Conference on Medicinal Chemistry & Computer Aided Drug Designing
December 08-10, 2014 DoubleTree by Hilton Hotel San Francisco Airport, USA

Mohammed A Khedr, Bander E Al-Dhubaib and Ibrahim A Al-Alhaider
ScientificTracks Abstracts: Med Chem
DOI: 10.4172/2161-0444.S1.011
Paramyxoviridae family is a large family that has many important viruses. The viruses of this family are the main cause of different human diseases such as respiratory tract infections, pneumonia. New castle disease virus causes a severe disease occurs in both domestic, wild animals and may affect human as well. New castle disease virus is a typical paramyxo virus with an enveloped single stranded, negative sense RNA genome. The RNA genome has six genes; nucleocapsid protein, phosphoprotein, matrix protein, polymerase protein, hemagglutinin-neuraminidase protein, and fusion protein. After the binding of virus to the host cell byhemagglutinin-neuraminidase protein, the fusion protein will be involved in a membrane fusion process. This will be followed by an irreversible conformational change from a metastable fusion conformation to a post stable, low energy conformation. This process is very important for the viral virulence. To date there is neither vaccination nor selective antiviral drug for this virus. The design of an inhibitor that can bind to this fusion protein and prevent the conformational change will inhibit the virus. This work aims to design such inhibitor starting by a comparative molecular modeling analysis of the pre and post fusion conformations. Homology modeling study was done to build the pre-fusion conformation. Molecular dynamic simulations were performed to compare between the most stable conformers. Structure-based virtual screening was performed to screen large number of compounds against the built model. Finally, the top-scored hits were selected for biological testing. All the molecular modeling studies were done by MOE 2013.08.
Mohammed A Khedr is the coordinator of drug design at College of Pharmacy, King Faisal University. He did his PhD in ??Computer-aided drug design and synthesis of novel antivirals?? in Cardiff University, UK. He was trained in Oxford University, UK on the recent advances in drug design. He discovered novel inhibitors of West Nile Virus by de novo approach and was an oral speaker in ??The 2nd International Ligand-based and Fragment-based drug design international conference, Oxford, UK, 2013??. He is the PI of two research projects funded by King Faisal University. He has supervised a number of master, PhD, and student projects at different universities.
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

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