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Full-Text Articles in Physical Sciences and Mathematics

Evolution Of Acyl-Substrate Recognition By A Family Of Acyl-Homoserine Lactone Synthases, Quin H. Christensen, Ryan M. Brecht, Dastagiri Dudekula, E. Peter Greenberg, Rajesh Nagarajan Nov 2014

Evolution Of Acyl-Substrate Recognition By A Family Of Acyl-Homoserine Lactone Synthases, Quin H. Christensen, Ryan M. Brecht, Dastagiri Dudekula, E. Peter Greenberg, Rajesh Nagarajan

Chemistry and Biochemistry Faculty Publications and Presentations

Members of the LuxI protein family catalyze synthesis of acyl-homoserine lactone (acyl-HSL) quorum sensing signals from S-adenosyl-L-methionine and an acyl thioester. Some LuxI family members prefer acyl-CoA, and others prefer acyl-acyl carrier protein (ACP) as the acyl-thioester substrate. We sought to understand the evolutionary history and mechanisms mediating this substrate preference. Our phylogenetic and motif analysis of the LuxI acyl-HSL synthase family indicates that the acyl-CoA-utilizing enzymes evolved from an acyl-ACP-utilizing ancestor. To further understand how acyl-ACPs and acyl-CoAs are recognized by acyl-HSL synthases we studied BmaI1, an octanoyl-ACP-dependent LuxI family member from Burkholderia mallei, and BjaI, an …


Medicinal History Of North American Veratrum, Christopher M. Chandler, Owen M. Mcdougal Sep 2014

Medicinal History Of North American Veratrum, Christopher M. Chandler, Owen M. Mcdougal

Chemistry and Biochemistry Faculty Publications and Presentations

Plants belonging to the genus Veratrum have been used throughout history for their medicinal properties. During the nineteenth and twentieth centuries, phytochemical investigations revealed a host of steroidal alkaloids in Veratrum species, some of which are potent bioactives. This review discusses Veratrum species that grow in North America with a focus on the medicinal history of these plants and the steroidal alkaloids they contain. While significant reviews have been devoted to singularly describing the plant species within the genus Veratrum (botany), the staggering breadth of alkaloids isolated from these and related plants (phytochemistry), and the intricacies of how the various …


Homology Modeling And Molecular Docking For The Science Curriculum, Owen M. Mcdougal, Nic Cornia, Chris Mallory, Julia Thom Oxford, Tim Andersen Mar 2014

Homology Modeling And Molecular Docking For The Science Curriculum, Owen M. Mcdougal, Nic Cornia, Chris Mallory, Julia Thom Oxford, Tim Andersen

Chemistry and Biochemistry Faculty Publications and Presentations

DockoMatic 2.0 is a powerful open source software program (downloadable from sourceforge.net) that allows users to utilize a readily accessible computational tool to explore biomolecules and their interactions. This manuscript describes a practical tutorial for use in the undergraduate curriculum that introduces students to macromolecular structure creation, ligand binding calculations, and visualization of docking results. A student procedure is provided that illustrates the use of DockoMatic to create a homology model for the amino propeptide region (223 amino acids with two disulfide bonds) of collagen α1 (XI), followed by molecular docking of the commercial drug Arixtra® to the …