A Validated Molecular Docking Study of Lipid–Protein Interactions

Gaddipati, Rajyalakshmi (2015) A Validated Molecular Docking Study of Lipid–Protein Interactions. PhD thesis, Victoria University.


The interaction of proteins with lipids is an important aspect of research as it plays a main role in various biological responses such as metabolic pathways, signal transduction and in drug discovery. Proteins that take part in the treatment of different diseases act as drug targets and hence research is ongoing to find new series of ligands of medicinally significant proteins. Few such proteins, peroxisome proliferator activated receptors (PPARs), retinoid receptors, cannabinoid receptors (CB1 and CB2), lipoxygenase (LOX), cyclooxygenases (COXs) were selected for the author’s study due to their therapeutic role to act as pharmacological targets. The existing ligands for these protein targets are causing some side effects. For example, thiazolidinediones are the currently used ligands for PPARs. Thiazolidinediones bind to PPARs and used in the treatment of diabetes. However, this treatment results in obesity. Similarly, the use of Nonsteroidal Anti-inflammatory Drugs (NSAIDs) like aspirin and ibuprofen lead to stomach or gastrointestinal ulcers, heartburn, headache and dizziness. Hence, a set of ligands which have a significant role in the treatment of diseases were selected and compared for their binding affinities towards the design of a new series of drugs.

Item type Thesis (PhD thesis)
URI https://vuir.vu.edu.au/id/eprint/29731
Subjects Historical > FOR Classification > 0304 Medicinal and Bimolecular Chemistry
Current > Division/Research > College of Science and Engineering
Keywords proteins, Lipro Interact Software, bioinformatic, biochemical, lipid ligands, PPARs, retinoid receptors, cyclooxygenase, lipoxygenase, proteintial ligands, cannabinoid receptors, scintillation proximity assay, biomolecules
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