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A Computational Investigation of GPCR Dimerization

Hussin, Huszalina A Computational Investigation of GPCR Dimerization. Marine Biology . (Unpublished)

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Abstract

G-protein coupled receptors (GPCRs) are considered as one of the most important groups of drug targets. They are widely involved in a broad range of body function and processes with related to major disease by passing signal across the cell membrane. Since big uncertainties relating to the functional reasons for dimerization and heterodimerization, at both the molecular and cellular level, here I proposed to investigate GPCR dimerization and GPCR-G-Protein at the molecular level through a range of computational activities based on recent technology such as DS MODELING 1.6 (the 3D structure modeling), which may help generating a new technology. The project will involve bioinformatics, quantum mechanical calculation for transition state location and molecular dynamics simulations, including free energy simulations. The development of novel approaches to studying conformational changes and more realistic approximate methods of treating the membrane environment yet to be discovered. In principle, deciphering structure-function relationships in GPCRs will promote computer-aided drug discovery by studying the binding mode of known ligands into their receptor binding-sites and identify the pharmacophores involved.

Item Type:Article
Uncontrolled Keywords:GPCR Dimerization
Subjects:Q Science > Q Science (General)
Divisions:Science
ID Code:2392
Deposited By: Mrs Huszalina Hussin
Last Modified:01 Jun 2010 03:02

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