Unveiling Bio-activity: A Computational Approach to Bioaction of Leukotriene B6
Inflammation is the bedrock of the bodys chemical and biological responses to deleterious agents. Whether the negative stimuli is of biological, physical or chemical origin an inflammatory response is critical to the healing process, as it mediates the removal of a negative stimulus and promotes restoration of homeostasis to local physiological conditions. The experimental compound leukotriene B6 (LTB6) is postulated to be of an anti-inflammatory nature, given its structural similarities to other well studied and fish oil derived -3 compounds serving to temper immune and inflammatory responses. Using quantum mechanical methods which allow for the development of large scale models I will evaluate the structural features and physical properties which confer the biological behavior of LTB6. The calculations I shall perform will allow for the development of relationships between the structure of LTB6, other -3 signaling molecules and the enzymatic receptors which tie physiological responses to the presence of -3 compounds.
Message to Sponsor
- Major: Chemistry
- Sponsor: SURF Rose Hills fellow
- Mentor: Karsten Gronert, Vision Science