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Owen M. McDougal
Department of Chemistry and Biochemistry, Boise State University, Boise, ID 83725, USA

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Journal article
Published: 30 August 2021 in Foods
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The purpose of this experimental review was to detect acrylamide in French fries using methods most adaptable to the food process industry for quality control assessment of products. French fries were prepared at different cook times using the same fryer oil over a five-day period to assess the influence of oil degradation and monitor trends in acrylamide formation. Acrylamide detection was performed using LC-MS, GC-MS and FT-NIR. The low levels of acrylamide produced during frying, low molecular weight of the analyte, and complexity of the potato matrix make routine acrylamide measurement challenging in a well-outfitted analytical lab with trained personnel. The findings of this study are presented from the perspective of pros and cons of each acrylamide measurement method in enough detail for food processors to appraise the method that may work best for them based on their available instrumentation and extent of personnel training.

ACS Style

Mark M. Skinner; Jared T. Seale; Maranda S. Cantrell; Joseph M. Collins; Matthew W. Turner; Owen M. McDougal. Instrumentation for Routine Analysis of Acrylamide in French Fries: Assessing Limitations for Adoption. Foods 2021, 10, 2038 .

AMA Style

Mark M. Skinner, Jared T. Seale, Maranda S. Cantrell, Joseph M. Collins, Matthew W. Turner, Owen M. McDougal. Instrumentation for Routine Analysis of Acrylamide in French Fries: Assessing Limitations for Adoption. Foods. 2021; 10 (9):2038.

Chicago/Turabian Style

Mark M. Skinner; Jared T. Seale; Maranda S. Cantrell; Joseph M. Collins; Matthew W. Turner; Owen M. McDougal. 2021. "Instrumentation for Routine Analysis of Acrylamide in French Fries: Assessing Limitations for Adoption." Foods 10, no. 9: 2038.

Review
Published: 16 June 2021 in Pharmaceuticals
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Drug development is a complicated, slow and expensive process with high failure rates. One strategy to mitigate these factors is to recycle existing drugs with viable safety profiles and have gained Food and Drug Administration approval following extensive clinical trials. Cardiovascular and neurodegenerative diseases are difficult to treat, and there exist few effective therapeutics, necessitating the development of new, more efficacious drugs. Recent scientific studies have led to a mechanistic understanding of heart and brain disease progression, which has led researchers to assess myriad drugs for their potential as pharmacological treatments for these ailments. The focus of this review is to survey strategies for the selection of drug repurposing candidates and provide representative case studies where drug repurposing strategies were used to discover therapeutics for cardiovascular and neurodegenerative diseases, with a focus on anti-inflammatory processes where new drug alternatives are needed.

ACS Style

Maranda Cantrell; Alejandro Soto-Avellaneda; Jackson Wall; Aaron Ajeti; Brad Morrison; Lisa Warner; Owen McDougal. Repurposing Drugs to Treat Heart and Brain Illness. Pharmaceuticals 2021, 14, 573 .

AMA Style

Maranda Cantrell, Alejandro Soto-Avellaneda, Jackson Wall, Aaron Ajeti, Brad Morrison, Lisa Warner, Owen McDougal. Repurposing Drugs to Treat Heart and Brain Illness. Pharmaceuticals. 2021; 14 (6):573.

Chicago/Turabian Style

Maranda Cantrell; Alejandro Soto-Avellaneda; Jackson Wall; Aaron Ajeti; Brad Morrison; Lisa Warner; Owen McDougal. 2021. "Repurposing Drugs to Treat Heart and Brain Illness." Pharmaceuticals 14, no. 6: 573.

Journal article
Published: 10 May 2021 in Foods
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There is an ever-expanding number of high protein dietary supplements marketed as beneficial to athletes, body builders, infant formulas, elder care, and animal feed. Consumers will pay more for products with high protein per serving data on their nutritional labels, making the accurate reporting of protein content critical to customer confidence. The Kjeldahl method (KM) is the industry standard to quantitate dairy proteins, but the result is based on nitrogen content, which is an approximation of nitrogen attributable to protein in milk. Product tampering by third-party manufacturers is an issue, due to the lack of United States Food and Drug Administration regulation of nutraceutical products, permitting formulators to add low-cost nitrogen-containing components to artificially inflate the KM approximated protein content in products. Optical spectroscopy is commonly used for quality control measurements and has been identified as having the potential to complement the KM as a more nuanced testing measure of dairy protein. Mid-infrared (MIR) spectroscopy spectra of eight protein standards provided qualitative characterization of each protein by amide I and amide II peak absorbance wavenumber. Protein doping experiments revealed that as protein amounts were increased, the amide I/II peak shape changed from the broad protein powder peaks to the narrower peaks characteristic of the individual protein. Amino acid doping experiments with lysine, glutamic acid, and glycine, determined the limit of detection by MIR spectroscopy as 25%, suggesting that MIR spectroscopy can provide product quality assurance complementary to dairy protein measurement by the KM.

ACS Style

Rose Saxton; Owen McDougal. Whey Protein Powder Analysis by Mid-Infrared Spectroscopy. Foods 2021, 10, 1033 .

AMA Style

Rose Saxton, Owen McDougal. Whey Protein Powder Analysis by Mid-Infrared Spectroscopy. Foods. 2021; 10 (5):1033.

Chicago/Turabian Style

Rose Saxton; Owen McDougal. 2021. "Whey Protein Powder Analysis by Mid-Infrared Spectroscopy." Foods 10, no. 5: 1033.

Journal article
Published: 23 January 2021 in Comprehensive Reviews in Food Science and Food Safety
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Acrylamide is the product of the Maillard reaction, which occurs when starchy, asparagine‐rich foods including potato or grain products and coffee are fried, baked, roasted, or heated. Studies in rodents provide evidence that acrylamide is carcinogenic and a male reproductive harmful agent when administered in exceedingly high levels. A 2002 study identified acrylamide in popular consumer food and beverage products, stimulating the European Union (EU) and California to legislate public notice of acrylamide presence in fried and baked foods, and coffee products. The regulatory legislation enacted in the EU and California has scientists working to develop foods and processes aimed at reducing acrylamide formation and advancing rapid and accurate analytical methods for the quantitative and qualitative determination of acrylamide in food and beverage products. The purpose of this review is to survey the studies performed on rodents and humans that identified the potential health impact of acrylamide in the human diet, and provide insight into established and emerging analytical methods used to detect acrylamide in blood, aqueous samples, and food.

ACS Style

Maranda S. Cantrell; Owen M. McDougal. Biomedical rationale for acrylamide regulation and methods of detection. Comprehensive Reviews in Food Science and Food Safety 2021, 20, 2176 -2205.

AMA Style

Maranda S. Cantrell, Owen M. McDougal. Biomedical rationale for acrylamide regulation and methods of detection. Comprehensive Reviews in Food Science and Food Safety. 2021; 20 (2):2176-2205.

Chicago/Turabian Style

Maranda S. Cantrell; Owen M. McDougal. 2021. "Biomedical rationale for acrylamide regulation and methods of detection." Comprehensive Reviews in Food Science and Food Safety 20, no. 2: 2176-2205.

Journal article
Published: 06 July 2020 in Foods
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Qualitative and semi-quantitative analysis of organosulfides extracted from oil obtained by steam distillation of yellow onions was performed by gas chromatography-mass spectrometry (GC-MS). The extraction efficiency of organosulfides from onion oil was evaluated across four solvents: dichloromethane; diethyl ether; n-pentane; and hexanes. Analysis of solvent extracted organosulfides by GC-MS provided qualitative results that support the use of dichloromethane over other solvents based on identification of 27 organosulfides from the dichloromethane extract as compared to 10 from diethyl ether; 19 from n-pentane; and 17 from hexanes. Semi-quantitative evaluation of organosulfides present in the dichloromethane extract was performed using diallyl disulfide as the internal reference standard. Three organosulfides were detected in the extract at ≥5 mg/kg; 18 organosulfides between 3–5 mg/kg; and six organosulfides at Allium spp.

ACS Style

Maranda S. Cantrell; Jared T. Seale; Sergio A. Arispe; Owen M. McDougal. Determination of Organosulfides from Onion Oil. Foods 2020, 9, 884 .

AMA Style

Maranda S. Cantrell, Jared T. Seale, Sergio A. Arispe, Owen M. McDougal. Determination of Organosulfides from Onion Oil. Foods. 2020; 9 (7):884.

Chicago/Turabian Style

Maranda S. Cantrell; Jared T. Seale; Sergio A. Arispe; Owen M. McDougal. 2020. "Determination of Organosulfides from Onion Oil." Foods 9, no. 7: 884.

Editorial
Published: 20 March 2020 in International Journal of Molecular Sciences
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The Center of Biomedical Research Excellence in Matrix Biology strives to improve our understanding of extracellular matrix at molecular, cellular, tissue, and organismal levels to generate new knowledge about pathophysiology, normal development, and regenerative medicine. The primary goals of the Center are to i) support junior investigators, ii) enhance the productivity of established scientists, iii) facilitate collaboration between both junior and established researchers, and iv) build biomedical research infrastructure that will support research relevant to cell–matrix interactions in disease progression, tissue repair and regeneration, and v) provide access to instrumentation and technical support. A Pilot Project program provides funding to investigators who propose applying their expertise to matrix biology questions. Support from the National Institute of General Medical Sciences at the National Institutes of Health that established the Center of Biomedical Research Excellence in Matrix Biology has significantly enhanced the infrastructure and the capabilities of researchers at Boise State University, leading to new approaches that address disease diagnosis, prevention, and treatment. New multidisciplinary collaborations have been formed with investigators who may not have previously considered how their biomedical research programs addressed fundamental and applied questions involving the extracellular matrix. Collaborations with the broader matrix biology community are encouraged.

ACS Style

Julia Thom Oxford; Ken A. Cornell; Jared J. Romero; Diane B. Smith; Tracy L. Yarnell; Rhiannon M. Wood; Cheryl L. Jorcyk; Trevor J. Lujan; Allan R. Albig; Kristen A. Mitchell; Owen M. McDougal; Daniel Fologea; David Estrada; Juliette K. Tinker; Rajesh Nagarajan; Don L. Warner; Troy T. Rohn; Jim Browning; Jr. Richard S. Beard; Lisa R. Warner; Brad E. Morrison; Clare K. Fitzpatrick; Gunes Uzer; Laura Bond; Stephanie M. Frahs; Cynthia Keller-Peck; Xinzhu Pu; Luke G. Woodbury; Matthew W. Turner. Center of Biomedical Research Excellence in Matrix Biology: Building Research Infrastructure, Supporting Young Researchers, and Fostering Collaboration. International Journal of Molecular Sciences 2020, 21, 2141 .

AMA Style

Julia Thom Oxford, Ken A. Cornell, Jared J. Romero, Diane B. Smith, Tracy L. Yarnell, Rhiannon M. Wood, Cheryl L. Jorcyk, Trevor J. Lujan, Allan R. Albig, Kristen A. Mitchell, Owen M. McDougal, Daniel Fologea, David Estrada, Juliette K. Tinker, Rajesh Nagarajan, Don L. Warner, Troy T. Rohn, Jim Browning, Jr. Richard S. Beard, Lisa R. Warner, Brad E. Morrison, Clare K. Fitzpatrick, Gunes Uzer, Laura Bond, Stephanie M. Frahs, Cynthia Keller-Peck, Xinzhu Pu, Luke G. Woodbury, Matthew W. Turner. Center of Biomedical Research Excellence in Matrix Biology: Building Research Infrastructure, Supporting Young Researchers, and Fostering Collaboration. International Journal of Molecular Sciences. 2020; 21 (6):2141.

Chicago/Turabian Style

Julia Thom Oxford; Ken A. Cornell; Jared J. Romero; Diane B. Smith; Tracy L. Yarnell; Rhiannon M. Wood; Cheryl L. Jorcyk; Trevor J. Lujan; Allan R. Albig; Kristen A. Mitchell; Owen M. McDougal; Daniel Fologea; David Estrada; Juliette K. Tinker; Rajesh Nagarajan; Don L. Warner; Troy T. Rohn; Jim Browning; Jr. Richard S. Beard; Lisa R. Warner; Brad E. Morrison; Clare K. Fitzpatrick; Gunes Uzer; Laura Bond; Stephanie M. Frahs; Cynthia Keller-Peck; Xinzhu Pu; Luke G. Woodbury; Matthew W. Turner. 2020. "Center of Biomedical Research Excellence in Matrix Biology: Building Research Infrastructure, Supporting Young Researchers, and Fostering Collaboration." International Journal of Molecular Sciences 21, no. 6: 2141.

Journal article
Published: 28 November 2019 in Marine Drugs
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KTM is a 16 amino acid peptide with the sequence WCCSYPGCYWSSSKWC. Here, we present the nuclear magnetic resonance (NMR) structure and bioactivity of this rationally designed α-conotoxin (α-CTx) that demonstrates potent inhibition of rat α3β2-nicotinic acetylcholine receptors (rα3β2-nAChRs). Two bioassays were used to test the efficacy of KTM. First, a qualitative PC12 cell-based assay confirmed that KTM acts as a nAChR antagonist. Second, bioactivity evaluation by two-electrode voltage clamp electrophysiology was used to measure the inhibition of rα3β2-nAChRs by KTM (IC50 = 0.19 ± 0.02 nM), and inhibition of the same nAChR isoform by α-CTx MII (IC50 = 0.35 ± 0.8 nM). The three-dimensional structure of KTM was determined by NMR spectroscopy, and the final set of 20 structures derived from 32 distance restraints, four dihedral angle constraints, and two disulfide bond constraints overlapped with a mean global backbone root-mean-square deviation (RMSD) of 1.7 ± 0.5 Å. The structure of KTM did not adopt the disulfide fold of α-CTx MII for which it was designed, but instead adopted a flexible ribbon backbone and disulfide connectivity of C2–C16 and C3–C8 with an estimated 12.5% α-helical content. In contrast, α-CTx MII, which has a native fold of C2–C8 and C3–C16, has an estimated 38.1% α-helical secondary structure. KTM is the first reported instance of a Framework I (CC-C-C) α-CTx with ribbon connectivity to display sub-nanomolar inhibitory potency of rα3β2-nAChR subtypes.

ACS Style

Leanna A. Marquart; Matthew W. Turner; Lisa R. Warner; Matthew D. King; James R. Groome; Owen M. McDougal. Ribbon α-Conotoxin KTM Exhibits Potent Inhibition of Nicotinic Acetylcholine Receptors. Marine Drugs 2019, 17, 669 .

AMA Style

Leanna A. Marquart, Matthew W. Turner, Lisa R. Warner, Matthew D. King, James R. Groome, Owen M. McDougal. Ribbon α-Conotoxin KTM Exhibits Potent Inhibition of Nicotinic Acetylcholine Receptors. Marine Drugs. 2019; 17 (12):669.

Chicago/Turabian Style

Leanna A. Marquart; Matthew W. Turner; Lisa R. Warner; Matthew D. King; James R. Groome; Owen M. McDougal. 2019. "Ribbon α-Conotoxin KTM Exhibits Potent Inhibition of Nicotinic Acetylcholine Receptors." Marine Drugs 17, no. 12: 669.

Journal article
Published: 20 November 2019 in Toxins
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A pheochromocytoma of the rat adrenal medulla derived (a.k.a. PC12) cell-based assay for dopamine measurement by luminescence detection was customized for the qualitative evaluation of agonists and antagonists of nicotinic acetylcholine receptors (nAChRs). The assay mechanism begins with ligand binding to transmembrane nAChRs, altering ion flow into the cell and inducing dopamine release from the cell. Following release, dopamine is oxidized by monoamine oxidase generating hydrogen peroxide that catalyzes a chemiluminescence reaction involving luminol and horseradish peroxidase, thus producing a detectable response. Results are presented for the action of nAChR agonists (acetylcholine, nicotine, and cytisine), and antagonists (α-conotoxins (α-CTxs) MII, ImI, LvIA, and PeIA) that demonstrate a luminescence response correlating to the increase or decrease of dopamine release. A survey of cell growth and treatment conditions, including nerve growth factor, nicotine, ethanol, and temperature, led to optimal assay requirements to achieve maximal signal intensity and consistent response to ligand treatment. It was determined that PC12 cells treated with a combination of nerve growth factor and nicotine, and incubated at 37 °C, provided favorable results for a reduction in luminescence signal upon treatment of cells with α-CTxs. The PC12 assay is intended for use as a fast, efficient, and economic qualitative method to assess the bioactivity of molecules that act on nAChRs, in which testing of ligand–nAChR binding hypotheses and computational predictions can be validated. As a screening method for nAChR bioactivity, lead compounds can be assessed for their likelihood of exhibiting desired bioactivity prior to being subjected to more complex quantitative methods, such as electrophysiology or live animal studies.

ACS Style

Leanna A. Marquart; Matthew W. Turner; Owen M. McDougal. Qualitative Assay to Detect Dopamine Release by Ligand Action on Nicotinic Acetylcholine Receptors. Toxins 2019, 11, 682 .

AMA Style

Leanna A. Marquart, Matthew W. Turner, Owen M. McDougal. Qualitative Assay to Detect Dopamine Release by Ligand Action on Nicotinic Acetylcholine Receptors. Toxins. 2019; 11 (12):682.

Chicago/Turabian Style

Leanna A. Marquart; Matthew W. Turner; Owen M. McDougal. 2019. "Qualitative Assay to Detect Dopamine Release by Ligand Action on Nicotinic Acetylcholine Receptors." Toxins 11, no. 12: 682.

Journal article
Published: 02 August 2019 in Fitoterapia
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Veratrum californicum is a rich source of steroidal alkaloids, many of which have proven to be antagonists of the Hedgehog (Hh) signaling pathway that becomes aberrant in over twenty types of cancer. These alkaloids first became known in the 1950's due to their teratogenic properties, which resulted in newborn and fetal lambs developing cyclopia as a result of pregnant ewes consuming Veratrum californicum. It was discovered that the alkaloids in V. californicum were concentrated in the root and rhizome of the plant with much lower amounts of the most active alkaloid, cyclopamine, present in the aerial plant, especially in the late growth season. Inspired by the limitations in analytical instrumentation and methods available to researchers at the time of the original investigation, we have used state-of-the-art instrumentation and modern analytical methods to quantitate four steroidal alkaloids based on study parameters including plant part, harvest location, and growth stage. The results of the current inquiry detail differences in alkaloid composition based on the study parameters, provide a detailed assessment for alkaloids that have been characterized previously (cyclopamine, veratramine, muldamine and isorubijervine), and identify at least six alkaloids that have not been previously characterized. This study provides insight into optimal harvest time, plant growth stage, harvest location, and plant part required to isolate, yet to be characterized, alkaloids of interest for exploration as Hh pathway antagonists with desirable medicinal properties.

ACS Style

Matthew W. Turner; Meagan Rossi; Vannessa Campfield; John French; Ellie Hunt; Emily Wade; Owen M. McDougal. Steroidal alkaloid variation in Veratrum californicum as determined by modern methods of analytical analysis. Fitoterapia 2019, 137, 104281 -104281.

AMA Style

Matthew W. Turner, Meagan Rossi, Vannessa Campfield, John French, Ellie Hunt, Emily Wade, Owen M. McDougal. Steroidal alkaloid variation in Veratrum californicum as determined by modern methods of analytical analysis. Fitoterapia. 2019; 137 ():104281-104281.

Chicago/Turabian Style

Matthew W. Turner; Meagan Rossi; Vannessa Campfield; John French; Ellie Hunt; Emily Wade; Owen M. McDougal. 2019. "Steroidal alkaloid variation in Veratrum californicum as determined by modern methods of analytical analysis." Fitoterapia 137, no. : 104281-104281.

Original article
Published: 22 March 2019 in Journal of Surfactants and Detergents
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Sugar esters of fatty acids are bio‐based surfactants that were synthesized by transesterification of table sugar (sucrose) with stearic acid methyl ester (SAME) in high yield and purity using an optimized microwave‐assisted method. The maximum surfactant product yield of 88.2% was obtained by combining reactants with potassium methoxide and irradiating the mixture with microwaves to achieve an ideal reaction temperature of 132 °C over 21 min. The synthetic procedure described herein minimized undesirable sugar pyrolysis as evidenced by retention of white color characteristic of a pure bio‐based surfactant product. The experiment implemented Box–Behnken design for response surface methodology to refine reaction parameters for optimal product yield. The following parameters were augmented: the irradiation time, the mole ratio of catalyst to sucrose, and temperature.

ACS Style

Narasimharao Kondamudi; Owen M. McDougal. Microwave‐Assisted Synthesis and Characterization of Stearic Acid Sucrose Ester: A Bio‐Based Surfactant. Journal of Surfactants and Detergents 2019, 22, 721 -729.

AMA Style

Narasimharao Kondamudi, Owen M. McDougal. Microwave‐Assisted Synthesis and Characterization of Stearic Acid Sucrose Ester: A Bio‐Based Surfactant. Journal of Surfactants and Detergents. 2019; 22 (4):721-729.

Chicago/Turabian Style

Narasimharao Kondamudi; Owen M. McDougal. 2019. "Microwave‐Assisted Synthesis and Characterization of Stearic Acid Sucrose Ester: A Bio‐Based Surfactant." Journal of Surfactants and Detergents 22, no. 4: 721-729.

Review
Published: 13 February 2019 in Toxins
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Nicotinic acetylcholine receptors (nAChRs) are found throughout the mammalian body and have been studied extensively because of their implication in a myriad of diseases. α-Conotoxins (α-CTxs) are peptide neurotoxins found in the venom of marine snails of genus Conus. α-CTxs are potent and selective antagonists for a variety of nAChR isoforms. Over the past 40 years, α-CTxs have proven to be valuable molecular probes capable of differentiating between closely related nAChR subtypes and have contributed greatly to understanding the physiological role of nAChRs in the mammalian nervous system. Here, we review the amino acid composition and structure of several α-CTxs that selectively target nAChR isoforms and explore strategies and outcomes for introducing mutations in native α-CTxs to direct selectivity and enhance binding affinity for specific nAChRs. This review will focus on structure-activity relationship studies involving native α-CTxs that have been rationally mutated and molecular interactions that underlie binding between ligand and nAChR isoform.

ACS Style

Matthew W. Turner; Leanna A. Marquart; Paul D. Phillips; Owen M. McDougal. Mutagenesis of α-Conotoxins for Enhancing Activity and Selectivity for Nicotinic Acetylcholine Receptors. Toxins 2019, 11, 113 .

AMA Style

Matthew W. Turner, Leanna A. Marquart, Paul D. Phillips, Owen M. McDougal. Mutagenesis of α-Conotoxins for Enhancing Activity and Selectivity for Nicotinic Acetylcholine Receptors. Toxins. 2019; 11 (2):113.

Chicago/Turabian Style

Matthew W. Turner; Leanna A. Marquart; Paul D. Phillips; Owen M. McDougal. 2019. "Mutagenesis of α-Conotoxins for Enhancing Activity and Selectivity for Nicotinic Acetylcholine Receptors." Toxins 11, no. 2: 113.

Journal article
Published: 01 September 2018 in Molecules
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Veratrum californicum is a rich source of steroidal alkaloids such as cyclopamine, a known inhibitor of the Hedgehog (Hh) signaling pathway. Here we provide a detailed analysis of the alkaloid composition of V. californicum by plant part through quantitative analysis of cyclopamine, veratramine, muldamine and isorubijervine in the leaf, stem and root/rhizome of the plant. To determine whether additional alkaloids in the extracts contribute to Hh signaling inhibition, the concentrations of these four alkaloids present in extracts were replicated using commercially available standards, followed by comparison of extracts to alkaloid standard mixtures for inhibition of Hh signaling using Shh-Light II cells. Alkaloid combinations enhanced Hh signaling pathway antagonism compared to cyclopamine alone, and significant differences were observed in the Hh pathway inhibition between the stem and root/rhizome extracts and their corresponding alkaloid standard mixtures, indicating that additional alkaloids present in these extracts are capable of inhibiting Hh signaling.

ACS Style

Matthew W. Turner; Roberto Cruz; Jordan Elwell; John French; Jared Mattos; Owen M. McDougal. Native V. californicum Alkaloid Combinations Induce Differential Inhibition of Sonic Hedgehog Signaling. Molecules 2018, 23, 2222 .

AMA Style

Matthew W. Turner, Roberto Cruz, Jordan Elwell, John French, Jared Mattos, Owen M. McDougal. Native V. californicum Alkaloid Combinations Induce Differential Inhibition of Sonic Hedgehog Signaling. Molecules. 2018; 23 (9):2222.

Chicago/Turabian Style

Matthew W. Turner; Roberto Cruz; Jordan Elwell; John French; Jared Mattos; Owen M. McDougal. 2018. "Native V. californicum Alkaloid Combinations Induce Differential Inhibition of Sonic Hedgehog Signaling." Molecules 23, no. 9: 2222.

Preprint
Published: 28 July 2018
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Veratrum californicum is a rich source of steroidal alkaloids such as cyclopamine, a known inhibitor of the Hedgehog (Hh) signaling pathway. Here we provide a detailed analysis of the alkaloid composition of V. californicum by plant part through quantitative analysis of cyclopamine, veratramine, muldamine and isorubijervine in the leaf, stem and root/rhizome of the plant. To determine if additional alkaloids in the extracts contribute to Hh signaling inhibition, we replicated the concentrations of these alkaloids observed in extracts using commercially available standards and compared the inhibitory potential of the extracts to alkaloid standard mixtures using Shh-Light II cells. Alkaloid combinations enhanced Hh signaling pathway antagonism compared to cyclopamine alone, and significant differences were observed in the Hh pathway inhibition between the stem and root/rhizome extracts and their corresponding alkaloid standard mixtures, indicating that additional alkaloids present in these extracts contribute to Hh signaling inhibition.

ACS Style

Matthew W. Turner; Roberto Cruz; Jordan Elwell; John French; Jared Mattos; Owen M. McDougal. Native V. Californicum Alkaloid Combinations Induce Differential Inhibition of Sonic Hedgehog Signaling. 2018, 1 .

AMA Style

Matthew W. Turner, Roberto Cruz, Jordan Elwell, John French, Jared Mattos, Owen M. McDougal. Native V. Californicum Alkaloid Combinations Induce Differential Inhibition of Sonic Hedgehog Signaling. . 2018; ():1.

Chicago/Turabian Style

Matthew W. Turner; Roberto Cruz; Jordan Elwell; John French; Jared Mattos; Owen M. McDougal. 2018. "Native V. Californicum Alkaloid Combinations Induce Differential Inhibition of Sonic Hedgehog Signaling." , no. : 1.

Research articles
Published: 20 May 2018 in New Zealand Journal of Botany
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Chemotaxonomic analysis of kōwhai leaf extracts in New Zealand are limited with previous reports of Sophora tetraptera having a flavonoid profile distinct from S. microphylla sensu lato and S. prostrata. Eight Sophora species are now recognised in New Zealand: S. chathamica, S. fulvida, S. godleyi, S. longicarinata, S. microphylla, S. molloyi, S. prostrata and S. tetraptera. We now report liquid chromatography-ultraviolet-mass spectrometry (LC-UV-MS) analyses of leaf and seed extracts of individual plants (2–16) from each of these eight species, plus the Chilean S. cassioides. All of the S. tetraptera leaf extracts had similar LC-UV-MS profiles, different from all of the other Sophora samples, consisting of four predominant compounds, characterised by MS and nuclear magnetic resonance (NMR) spectroscopy as: luteolin-7-O-rutinoside 1, luteolin-7-O-glucoside 2, apigenin-7-O-rutinoside 3, and apigenin-7-O-glucoside 4. The other Sophora leaf extracts showed complex flavonoid compositions, with no clear distinction between species. Most of the Sophora seed samples, including those of S. tetraptera, showed one major phenolic compound, but a few had a related compound. These were purified and characterised by MS and NMR spectroscopy as 3′,4′,7-trihydroxyisoflavone 5 (in most seeds) and its 7-O-glucoside 6 (in a few seeds), neither of which has been previously reported from these Sophora species.

ACS Style

Owen Michael McDougal; Peter Brian Heenan; Nigel Brian Perry; John William Van Klink. Chemotaxonomy of kōwhai: leaf and seed flavonoids of New Zealand Sophora species. New Zealand Journal of Botany 2018, 56, 227 -236.

AMA Style

Owen Michael McDougal, Peter Brian Heenan, Nigel Brian Perry, John William Van Klink. Chemotaxonomy of kōwhai: leaf and seed flavonoids of New Zealand Sophora species. New Zealand Journal of Botany. 2018; 56 (3):227-236.

Chicago/Turabian Style

Owen Michael McDougal; Peter Brian Heenan; Nigel Brian Perry; John William Van Klink. 2018. "Chemotaxonomy of kōwhai: leaf and seed flavonoids of New Zealand Sophora species." New Zealand Journal of Botany 56, no. 3: 227-236.

Journal article
Published: 16 April 2018 in BMC Bioinformatics
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Conventional de novo drug design is costly and time consuming, making it accessible to only the best resourced research organizations. An emergent approach to new drug development is drug repurposing, in which compounds that have already gone through some level of clinical testing are examined for efficacy against diseases divergent than their original application. Repurposing of existing drugs circumvents the time and considerable cost of early stages of drug development, and can be accelerated by using software to screen existing chemical databases to identify suitable drug candidates. Small-molecule Peptide-Influenced Drug Repurposing (SPIDR) was developed to identify small molecule drugs that target a specific receptor by exploring the conformational binding space of peptide ligands. SPIDR was tested using the potent and selective 16-amino acid peptide α-conotoxin MII ligand and the α3β2-nicotinic acetylcholine receptor (nAChR) isoform. SPIDR incorporates a genetic algorithm-based, heuristic search procedure, which was used to explore the ligand binding domain of the α3β2-nAChR isoform using a library consisting of 640,000 α-conotoxin MII peptide analogs. The peptides that exhibited the highest affinity for α3β2-nAChR were used as models for a small-molecule structure similarity search of the PubChem Compound database. SPIDR incorporates the SimSearcher utility, which generates shape distribution signatures of molecules and employs multi-level K-means clustering to insure fast database queries. SPIDR identified non-peptide drugs with estimated binding affinities nearly double that of the native α-conotoxin MII peptide. SPIDR has been generalized and integrated into DockoMatic v 2.1. This software contains an intuitive graphical interface for peptide mutant screening workflow and facilitates mapping, clustering, and searching of local molecular databases, making DockoMatic a valuable tool for researchers in drug design and repurposing. The online version of this article (10.1186/s12859-018-2153-y) contains supplementary material, which is available to authorized users.

ACS Style

Matthew D. King; Thomas Long; Daniel L. Pfalmer; Timothy L. Andersen; Owen M. McDougal. SPIDR: small-molecule peptide-influenced drug repurposing. BMC Bioinformatics 2018, 19, 138 .

AMA Style

Matthew D. King, Thomas Long, Daniel L. Pfalmer, Timothy L. Andersen, Owen M. McDougal. SPIDR: small-molecule peptide-influenced drug repurposing. BMC Bioinformatics. 2018; 19 (1):138.

Chicago/Turabian Style

Matthew D. King; Thomas Long; Daniel L. Pfalmer; Timothy L. Andersen; Owen M. McDougal. 2018. "SPIDR: small-molecule peptide-influenced drug repurposing." BMC Bioinformatics 19, no. 1: 138.

Journal article
Published: 14 September 2017 in Toxins
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Nine publically available biosafety protocols for safely handling conotoxin peptides were tested to evaluate their decontamination efficacy. Circular dichroism (CD) spectroscopy and mass spectrometry (MS) were used to assess the effect of each chemical treatment on the secondary and primary structure of α-CTx MII (L10V, E11A). Of the nine decontamination methods tested, treatment with 1% (m/v) solution of the enzymatic detergent Contrex™ EZ resulted in a 76.8% decrease in α-helical content as assessed by the mean residue ellipticity at 222 nm, and partial peptide digestion was demonstrated using high performance liquid chromatography mass spectrometry (HPLC-MS). Additionally, treatment with 6% sodium hypochlorite (m/v) resulted in 80.5% decrease in α-helical content and complete digestion of the peptide. The Contrex™ EZ treatment was repeated with three additional α-conotoxins (α-CTxs), α-CTxs LvIA, ImI and PeIA, which verified the decontamination method was reasonably robust. These results support the use of either 1% Contrex™ EZ solution or 6% sodium hypochlorite in biosafety protocols for the decontamination of α-CTxs in research laboratories.

ACS Style

Matthew W. Turner; John R. Cort; Owen M. McDougal. α-Conotoxin Decontamination Protocol Evaluation: What Works and What Doesn’t. Toxins 2017, 9, 281 .

AMA Style

Matthew W. Turner, John R. Cort, Owen M. McDougal. α-Conotoxin Decontamination Protocol Evaluation: What Works and What Doesn’t. Toxins. 2017; 9 (9):281.

Chicago/Turabian Style

Matthew W. Turner; John R. Cort; Owen M. McDougal. 2017. "α-Conotoxin Decontamination Protocol Evaluation: What Works and What Doesn’t." Toxins 9, no. 9: 281.

Journal article
Published: 01 January 2017 in AIMS Molecular Science
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ACS Style

Owen M. McDougal. Journal summary from Editor in Chief. AIMS Molecular Science 2017, 4, 89 -90.

AMA Style

Owen M. McDougal. Journal summary from Editor in Chief. AIMS Molecular Science. 2017; 4 (1):89-90.

Chicago/Turabian Style

Owen M. McDougal. 2017. "Journal summary from Editor in Chief." AIMS Molecular Science 4, no. 1: 89-90.

Research article
Published: 07 December 2016 in Journal of Chemical Information and Modeling
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This study demonstrates the utility of genetic algorithms to search exceptionally large and otherwise intractable mutant libraries for sequences with optimal binding affinities for target receptors. The Genetic Algorithm Managed Peptide Mutant Screening (GAMPMS) program was used to search an α-conotoxin (α-CTx) MII mutant library of approximately 41 billion possible peptide sequences for those exhibiting the greatest binding affinity for the α3β2-nicotinic acetylcholine receptor (nAChR) isoform. A series of top resulting peptide ligands with high sequence homology was obtained, with each mutant having an estimated ΔGbind approximately double that of the potent native α-CTx MII ligand. A consensus sequence from the top GAMPMS results was subjected to more rigorous binding free energy calculations by molecular dynamics and compared to α-CTx MII and other related variants for binding with α3β2-nAChR. In this study, the efficiency of GAMPMS to substantially reduce the sample population size through evolutionary selection criteria to produce ligands with higher predicted binding affinity is demonstrated.

ACS Style

Matthew D. King; Thomas Long; Timothy Andersen; Owen M. McDougal. Genetic Algorithm Managed Peptide Mutant Screening: Optimizing Peptide Ligands for Targeted Receptor Binding. Journal of Chemical Information and Modeling 2016, 56, 2378 -2387.

AMA Style

Matthew D. King, Thomas Long, Timothy Andersen, Owen M. McDougal. Genetic Algorithm Managed Peptide Mutant Screening: Optimizing Peptide Ligands for Targeted Receptor Binding. Journal of Chemical Information and Modeling. 2016; 56 (12):2378-2387.

Chicago/Turabian Style

Matthew D. King; Thomas Long; Timothy Andersen; Owen M. McDougal. 2016. "Genetic Algorithm Managed Peptide Mutant Screening: Optimizing Peptide Ligands for Targeted Receptor Binding." Journal of Chemical Information and Modeling 56, no. 12: 2378-2387.

Journal article
Published: 14 June 2016 in Bioorganic & Medicinal Chemistry
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Veratrum californicum, commonly referred to as corn lily or Californian false hellebore, grows in high mountain meadows and produces the steroidal alkaloid cyclopamine, a potent inhibitor of the Hedgehog (Hh) signaling pathway. The Hh pathway is a crucial regulator of many fundamental processes during vertebrate embryonic development. However, constitutive activation of the Hh pathway contributes to the progression of various cancers. In the present study, a direct correlation was made between the extraction efficiency for cyclopamine from root and rhizome by eight methods, and the associated biological activity in Shh-Light II cells using the Dual-Glo® Luciferase Assay System. Alkaloid recovery ranged from 0.39 to 8.03 mg/g, with ethanol soak being determined to be the superior method for obtaining biologically active cyclopamine. Acidic ethanol and supercritical extractions yielded degraded or contaminated cyclopamine with lower antagonistic activity towards Hh signaling.

ACS Style

Matthew W. Turner; Roberto Cruz; Jared Mattos; Nic Baughman; Jordan Elwell; Jenny Fothergill; Anna Nielsen; Jessica Brookhouse; Ashton Bartlett; Petr Malek; Xinzhu Pu; Matthew D. King; Owen M. McDougal. Cyclopamine bioactivity by extraction method from Veratrum californicum. Bioorganic & Medicinal Chemistry 2016, 24, 3752 -3757.

AMA Style

Matthew W. Turner, Roberto Cruz, Jared Mattos, Nic Baughman, Jordan Elwell, Jenny Fothergill, Anna Nielsen, Jessica Brookhouse, Ashton Bartlett, Petr Malek, Xinzhu Pu, Matthew D. King, Owen M. McDougal. Cyclopamine bioactivity by extraction method from Veratrum californicum. Bioorganic & Medicinal Chemistry. 2016; 24 (16):3752-3757.

Chicago/Turabian Style

Matthew W. Turner; Roberto Cruz; Jared Mattos; Nic Baughman; Jordan Elwell; Jenny Fothergill; Anna Nielsen; Jessica Brookhouse; Ashton Bartlett; Petr Malek; Xinzhu Pu; Matthew D. King; Owen M. McDougal. 2016. "Cyclopamine bioactivity by extraction method from Veratrum californicum." Bioorganic & Medicinal Chemistry 24, no. 16: 3752-3757.

Journal article
Published: 01 May 2016 in Natural Product Communications
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Current United States regulatory policies allow for the addition of pharmacologically active substances in dietary supplements if derived from a botanical source. The inclusion of certain nootropic drugs, such as vinpocetine, in dietary supplements has recently come under scrutiny due to the lack of defined dosage parameters and yet unproven short- and long-term benefits and risks to human health. This study quantified the concentration of vinpocetine in several commercially available dietary supplements and found that a highly variable range of 0.6-5.1 mg/serving was present across the tested products, with most products providing no specification of vinpocetine concentrations.

ACS Style

John M. T. French; Matthew D. King; Owen M. McDougal. Quantitative Determination of Vinpocetine in Dietary Supplements. Natural Product Communications 2016, 11, 607 -9.

AMA Style

John M. T. French, Matthew D. King, Owen M. McDougal. Quantitative Determination of Vinpocetine in Dietary Supplements. Natural Product Communications. 2016; 11 (5):607-9.

Chicago/Turabian Style

John M. T. French; Matthew D. King; Owen M. McDougal. 2016. "Quantitative Determination of Vinpocetine in Dietary Supplements." Natural Product Communications 11, no. 5: 607-9.