Quorum sensing (QS) is a process of coordination of bacterial gene expression in response to cell population. System two QS is regulated by the small signaling molecule autoinducer-2 (AI-2) and is implicated in the infectious behaviors of various bacterial species. AI-2 is biosynthesized from S-ribosylhomocysteine (SRH) by the enzyme LuxS and induces interspecies cell-to-cell communication. Inhibition of LuxS would therefore inhibit interspecies QS. Herein, a search for novel molecular species that will competitively bind with SRH in the LuxS binding site is performed in silico. Computational screening results are then validated in vitro using an optimized LuxS inhibition assay.
","abstract_html":"<p>Quorum sensing (QS) is a process of coordination of bacterial gene expression in response to cell population. System two QS is regulated by the small signaling molecule autoinducer-2 (AI-2) and is implicated in the infectious behaviors of various bacterial species. AI-2 is biosynthesized from <em>S-</em>ribosylhomocysteine (SRH) by the enzyme LuxS and induces interspecies cell-to-cell communication. Inhibition of LuxS would therefore inhibit interspecies QS. Herein, a search for novel molecular species that will competitively bind with SRH in the LuxS binding site is performed <em>in silico</em>. Computational screening results are then validated <em>in vitro</em> using an optimized LuxS inhibition assay.</p>","abstract_has_math":false,"creators":["Wang, Keeshia Q"],"institution":null,"degree_name":"Master of Science in Chemistry","degree_level":"Thesis","degree_discipline":"Chemistry","degree_department":null,"school":null,"contributors":["Dr. Megan E. Bolitho","Dr. Lawrence Margerum","Dr. Jie Jack Li"],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2013,"date_issued":"2013-12-13T08:00:00Z","date_published":"2013-12-13T08:00:00Z","updated_at":"2026-07-24T05:43:17Z","subjects":["LuxS","Quorum Sensing","Arginine","Ellman's Assay","Docking","Inhibitor","Amino Acids, Peptides, and Proteins","Biochemical Phenomena, Metabolism, and Nutrition","Biochemistry","Biotechnology","Enzymes and Coenzymes","Medical Biochemistry","Other Biochemistry, Biophysics, and Structural Biology","Other Chemicals and Drugs","Pharmaceutical Preparations"],"languages":[],"rights":[],"rights_urls":[],"identifier_entries":[]},"links":{"outbound_url":"https://repository.usfca.edu/thes/149","outbound_label":"Repository record","outbound_source":"dc:identifier"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor","label":"Contributor","values":["Dr. Megan E. Bolitho","Dr. Lawrence Margerum","Dr. Jie Jack Li"]},{"key":"dc:creator","label":"Author","values":["Wang, Keeshia Q"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date.available","label":"Dc Date Available","values":["2015-08-14T07:00:00Z"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Chemistry"]},{"key":"thesis:degree_level","label":"Degree Level","values":["Thesis"]},{"key":"thesis:degree_name","label":"Degree Name","values":["Master of Science in Chemistry"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["LuxS","Quorum Sensing","Arginine","Ellman's Assay","Docking","Inhibitor","Amino Acids, Peptides, and Proteins","Biochemical Phenomena, Metabolism, and Nutrition","Biochemistry","Biotechnology","Enzymes and Coenzymes","Medical Biochemistry","Other Biochemistry, Biophysics, and Structural Biology","Other Chemicals and Drugs","Pharmaceutical Preparations"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier","label":"Identifier","values":["https://repository.usfca.edu/thes/149"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description.abstract","label":"Abstract","values":["Quorum sensing (QS) is a process of coordination of bacterial gene expression in response to cell population. System two QS is regulated by the small signaling molecule autoinducer-2 (AI-2) and is implicated in the infectious behaviors of various bacterial species. AI-2 is biosynthesized from S-ribosylhomocysteine (SRH) by the enzyme LuxS and induces interspecies cell-to-cell communication. Inhibition of LuxS would therefore inhibit interspecies QS. Herein, a search for novel molecular species that will competitively bind with SRH in the LuxS binding site is performed in silico. Computational screening results are then validated in vitro using an optimized LuxS inhibition assay.
"]},{"key":"dc:title","label":"Title","values":["Biochemical Assay Optimization and Computational Screening Efforts to Identify Potential LuxS Inhibitors"]}]}],"canonical_facts":{"dc:contributor":["Dr. Megan E. Bolitho","Dr. Lawrence Margerum","Dr. Jie Jack Li"],"dc:creator":["Wang, Keeshia Q"],"dc:date.available":["2015-08-14T07:00:00Z"],"dc:description.abstract":["Quorum sensing (QS) is a process of coordination of bacterial gene expression in response to cell population. System two QS is regulated by the small signaling molecule autoinducer-2 (AI-2) and is implicated in the infectious behaviors of various bacterial species. AI-2 is biosynthesized from S-ribosylhomocysteine (SRH) by the enzyme LuxS and induces interspecies cell-to-cell communication. Inhibition of LuxS would therefore inhibit interspecies QS. Herein, a search for novel molecular species that will competitively bind with SRH in the LuxS binding site is performed in silico. Computational screening results are then validated in vitro using an optimized LuxS inhibition assay.
"],"dc:identifier":["https://repository.usfca.edu/thes/149"],"dc:subject":["LuxS","Quorum Sensing","Arginine","Ellman's Assay","Docking","Inhibitor","Amino Acids, Peptides, and Proteins","Biochemical Phenomena, Metabolism, and Nutrition","Biochemistry","Biotechnology","Enzymes and Coenzymes","Medical Biochemistry","Other Biochemistry, Biophysics, and Structural Biology","Other Chemicals and Drugs","Pharmaceutical Preparations"],"dc:title":["Biochemical Assay Optimization and Computational Screening Efforts to Identify Potential LuxS Inhibitors"],"thesis:degree_discipline":["Chemistry"],"thesis:degree_level":["Thesis"],"thesis:degree_name":["Master of Science in Chemistry"]},"updated_at":"2026-07-24T05:43:17Z"}