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Natural Products Chemistry and Pharmacognosy Commons

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Structure Elucidation Of A Pyrrolobenzodiazepine Alkaloid And A Biologically Active Polyketide Produced By Rhodococcus Sp. Mtm3w5.2 Via Two-Dimensional Nmr Spectroscopy, Garrett Johnson 2019 East Tennessee State University

Structure Elucidation Of A Pyrrolobenzodiazepine Alkaloid And A Biologically Active Polyketide Produced By Rhodococcus Sp. Mtm3w5.2 Via Two-Dimensional Nmr Spectroscopy, Garrett Johnson

Electronic Theses and Dissertations

As the battle against ever-increasing drug resistence bacteria rages on, novel and sometimes more complex natural products can be used to combat this. In this study, two-dimensional NMR techniques were utilized to collect a complete spectral data set for two natural products. The first structure, a synthesized Pyrrolobenzodiazepine alkaloid natural product was confirmed through these methods. The second, a strain of Rhodococcus, MTM3W5.2, produces a novel antibacterial molecule in broth cultures and the active compound was fractionated using a Sephedex LH-20 column. Chromatographic purification yielded a pure sample at 58.90 minutes, RT.58. HRMS data deduced an exact ...


Evidence For The Potential Use Of Polyphenols And Their Derivatives In Moderating Allergic Immune Responses, Jamie Kellner, Lindsay Mark, Kasie Bellmann, Kelly Shields 2019 Ohio Northern University

Evidence For The Potential Use Of Polyphenols And Their Derivatives In Moderating Allergic Immune Responses, Jamie Kellner, Lindsay Mark, Kasie Bellmann, Kelly Shields

Pharmacy and Wellness Review

Polyphenols are naturally occurring compounds that are found within numerous plant sources. They have a wide variety of structures and functions and have potential clinical uses in multiple disease states. Emerging studies involving polyphenols have demonstrated their antioxidative properties, as well as reduced risks of cardiovascular diseases and certain types of cancer. Due to these discoveries, there has been a marked increase in research related to the chemical properties of polyphenols and their potential uses in prevention of common acquired and inherited disease states. This article focuses on the effects that some polyphenolic compounds exert on immune function in regard ...


Determining The Binding Site Of Org27569 Within The Cb1 Receptor, AyoOluwa O. Aderibigbe, Pankaj Pandey, Robert J. Doerksen 2019 University of Mississippi

Determining The Binding Site Of Org27569 Within The Cb1 Receptor, Ayooluwa O. Aderibigbe, Pankaj Pandey, Robert J. Doerksen

Faculty and Student Poster Sessions

Computational studies to determine the binding site of ORG27569, a negative allosteric modulator, within the cannabinoid receptor 1 (CB1) reveal an intracellular binding domain as the most favorable binding site for ORG27569.


Which Factors Influence The Usage And Perceptions Of Medicinal Plants In Kizanda Village (Lushoto District) And Ushongo Village (Tanga District)?, Callie Smith 2019 SIT Study Abroad

Which Factors Influence The Usage And Perceptions Of Medicinal Plants In Kizanda Village (Lushoto District) And Ushongo Village (Tanga District)?, Callie Smith

Independent Study Project (ISP) Collection

The objective of this study was to compare and examine which factors impact usage and perceptions of traditional medicine in Ushongo Mtoni and Kizanda villages. More specifically, this study aimed to gain an understanding of the usages, with a specific focus on gendered usages of medicinal plants in Kizanda village and Ushongo Mtoni village and to try to examine the differences in perceptions towards traditional medicine usage in Kizanda and Ushongo. Additionally, this study aimed to determine if there are any major themes that are constant with medicinal plants in both Ushongo and Kizanda. In order to conduct this study ...


Treatment Options For Seasonal Affective Disorder, Lauren D. Bajbus, Amanda M. Meyer, Kristen M. Quertinmont, Sarah E. Drake, Alison L. Huet, Shane Martin 2019 Ohio Northern University

Treatment Options For Seasonal Affective Disorder, Lauren D. Bajbus, Amanda M. Meyer, Kristen M. Quertinmont, Sarah E. Drake, Alison L. Huet, Shane Martin

Pharmacy and Wellness Review

Many patients who have undiagnosed Seasonal Affective Disorder (SAD) may come into the pharmacy to try to self-treat their symptoms with over-the-counter and herbal drugs. Often, patients don't recognize their symptoms as a true depressive disorder since they are not constant. The pharmacist has the opportunity to talk to these patients, educate them on the disease state and explain that they do have options, both pharmacologic and non-pharmacologic. It also is important for pharmacists to point out any interactions that the herbal or over-the-counter medications may have with other medications and to refer patients to their physician for further ...


Osteoarthritis: Natural Supplements For Joint Health, Katherine Salay, Kimberly Gathers, Lindsey McClish, Lisa Vranekovic, Kristen Seaman, Ryan W. Naseman 2019 Ohio Northern University

Osteoarthritis: Natural Supplements For Joint Health, Katherine Salay, Kimberly Gathers, Lindsey Mcclish, Lisa Vranekovic, Kristen Seaman, Ryan W. Naseman

Pharmacy and Wellness Review

An estimated 46 million adults in the U.S. are affected by arthritis, with osteoarthritis (OA) being the most common. Due to the limited pharmacologic therapy available to treat this condition, many patients are turning to dietary supplements to relieve their symptoms. Some of the most popular supplements available for the treatment of OA are glucosamine, chrondroitin and methylsulfonylmethane (MSM), but many less studied products are also available. Due to limited evidence of efficacy, it is difficult to make a strong recommendation for any of these products; however, pharmacists must be able to educate the patients that choose to use ...


Proteomic Evaluation And Cytotoxicity Of Red Maple (Acer Rubrum) Leaves, Saud Alshammari 2019 Chapman University

Proteomic Evaluation And Cytotoxicity Of Red Maple (Acer Rubrum) Leaves, Saud Alshammari

Pharmaceutical Sciences (MS) Theses

Red maple (Acer rubrum), also known as swamp, water or soft maple, is endemic to eastern and central North America and was widely used as traditional medicine by the first peoples. Commercially, its well-known products include maple syrup and high-quality lumber. The potential medicinal benefits of phenolic compounds extracted from the red maple plant, such as glucitol-core containing gallotannins, include antioxidant, and antiglycation effects as well as their importance in cosmetic applications. Plant-derived proteins and peptides are important biomolecules; however to date, there is no published data on the identification of proteins/peptides from red maple leaves. Therefore, the present ...


Integration Of Native American Medicinal Plants Into The Heber W. Youngken Jr. Garden, Emily Lyn Murray 2019 University of Rhode Island

Integration Of Native American Medicinal Plants Into The Heber W. Youngken Jr. Garden, Emily Lyn Murray

Senior Honors Projects

Healthcare among Native American tribes was focused on all aspects of a patient’s life, such as physical, spiritual, and environmental elements. Healthy outcomes were obtained by maintaining a balance among all of these components. This “bio-psycho-socio-spiritual” approach to healthcare was thought to not only play a role in the health of a certain individual, but the health of the tribe as a whole. An illness was not only precipitated by a physical source, but by an imbalance of these components. Medicinal plants served as an integral role in direct physical healing, as well as an important element for the ...


The Characterization Of A New Metabolite From A Trichodesmium Bloom, Kelly M. McManus 2019 University of Rhode Island

The Characterization Of A New Metabolite From A Trichodesmium Bloom, Kelly M. Mcmanus

Senior Honors Projects

Our laboratory has been investigating blooms of Trichodesmium, a genus of ecologically important, nitrogen-fixing cyanobacteria, collected from Padre Island in the Gulf of Mexico. Trichodesmium species are an underexplored biological source of cyanobacteria – a taxa that has been shown to produce chemically diverse secondary metabolites. With our focus on the isolation and structure characterization of new bioactive marine natural products, our research group has discovered over 25 new-to-science compounds over the past three years from these blooms. UV and mass spectrometry-guided isolation of Trichodesmium chromatography fractions were utilized to isolate a new metabolite. Isolation of this metabolite was carried out ...


The Effect Of Cysteine-Reactive Catechol Antioxidants On Alcohol Dehydrogenase As A Model For Oxidative Stress In Neurodegenerative Disease, Rachel Smith 2019 William & Mary

The Effect Of Cysteine-Reactive Catechol Antioxidants On Alcohol Dehydrogenase As A Model For Oxidative Stress In Neurodegenerative Disease, Rachel Smith

Undergraduate Honors Theses

The cellular mechanisms underlying age-related neurodegeneration, especially in disease states, are poorly understood. Oxidative stress has been heavily implicated as one factor both produced by and contributing to the progression of neurodegenerative diseases such as Alzheimer’s disease. In particular, it can destroy a cell’s ability to produce energy through aerobic and anaerobic respiration, thus leading to the death of individual cells and brain tissues as a whole. This study focuses on the relationship between oxidative stress and energy production in disease states. In particular, we examine the ability of catechol molecules to take on pro-oxidative properties and modify ...


Dietary Supplement Safety: A 25 Year Retrospective Assessment, Bill Gurley 2019 University of Arkansas - Medical Sciences

Dietary Supplement Safety: A 25 Year Retrospective Assessment, Bill Gurley

Oxford ICSB

Passage of the Dietary Supplement Health & Education Act (DSHEA) in 1994 ushered in a new category of consumer products known as dietary supplements (DS). DSHEA’s definition of a dietary supplement encompasses a wide variety of products from multivitamins and single-ingredient botanical extracts, to “proprietary blends” of multiple botanical extracts and/or vitamins and minerals. Almost from their inception, safety concerns regarding certain categories of “proprietary blends” have plagued the DS industry. Most notable of these involved Ephedra-containing DS, whose questionable safety record led to their removal from the U.S. market in 2004 by the FDA after a 10-year ...


A Randomized, Controlled Trial On The Effects Of Almonds On Lipoprotein Response To A Higher Carbohydrate, Lower Fat Diet In Men And Women With Abdominal Adiposity., Paul T. Williams, Nathalie Bergeron, Sally Chiu, Ronald M. Krauss 2019 Touro University California

A Randomized, Controlled Trial On The Effects Of Almonds On Lipoprotein Response To A Higher Carbohydrate, Lower Fat Diet In Men And Women With Abdominal Adiposity., Paul T. Williams, Nathalie Bergeron, Sally Chiu, Ronald M. Krauss

Faculty Publications & Research of the TUC College of Pharmacy

BACKGROUND: Almonds have been shown to lower LDL cholesterol but there is limited information regarding their effects on the dyslipidemia characterized by increased levels of very low density lipoproteins (VLDL) and small, dense low-density lipoprotein (LDL) particles that is associated with abdominal adiposity and high carbohydrate intake. The objective of the present study was to test whether substitution of almonds for other foods attenuates carbohydrate-induced increases in small, dense LDL in individuals with increased abdominal adiposity.

METHODS: This was a randomized cross-over study of three 3wk diets, separated by 2wk washouts: a higher-carbohydrate (CHO) reference diet (CHO

RESULTS: Relative to ...


Purification And Characterization Of A Nonspecific Lipid Transfer Protein 1 (Nsltp1) From Ajwain (Trachyspermum Ammi) Seeds, Meshal Nazeer, Humera Waheed, Maria Saeed, Saman Yousuf ali, M. Iqbal Choudhary, Zaheer Ul-Haq, Aftab Ahmed 2019 Chapman University

Purification And Characterization Of A Nonspecific Lipid Transfer Protein 1 (Nsltp1) From Ajwain (Trachyspermum Ammi) Seeds, Meshal Nazeer, Humera Waheed, Maria Saeed, Saman Yousuf Ali, M. Iqbal Choudhary, Zaheer Ul-Haq, Aftab Ahmed

Pharmacy Faculty Articles and Research

Ajwain (Trachyspermum ammi) belongs to the family Umbelliferae, is commonly used in traditional, and folk medicine due to its carminative, stimulant, antiseptic, diuretic, antihypertensive, and hepatoprotective activities. Non-specific lipid transfer proteins (nsLTPs) reported from various plants are known to be involved in transferring lipids between membranes and in plants defense response. Here, we describe the complete primary structure of a monomeric non-specific lipid transfer protein 1 (nsLTP1), with molecular weight of 9.66 kDa, from ajwain seeds. The nsLTP1 has been purified by combination of chromatographic techniques, and further characterized by mass spectrometry, and Edman degradation. The ajwain nsLTP1 is ...


Development And Validation Of A Rapid Method For The Detection Of Latrunculol A In Plasma., Jiajiu Shaw, Frederick A. Valeriote, Joseph Media, Tyler A. Johnson, Taro Amagata, Karen Tenney, Phillip Crews 2019 Henry Ford Health System, Detroit, Michigan, USA

Development And Validation Of A Rapid Method For The Detection Of Latrunculol A In Plasma., Jiajiu Shaw, Frederick A. Valeriote, Joseph Media, Tyler A. Johnson, Taro Amagata, Karen Tenney, Phillip Crews

Tyler Johnson

Latrunculol A is a recently discovered 6,7-dihydroxy analog of the potent actin inhibitor latrunculin A. Latrunculol A has exhibited greater cytotoxicity than latrunculin A against both murine and human colon tumor cell lines in vitro. Currently, there are no reports regarding the bioavailability of latrunculol A in vivo. This study was undertaken as a prelude to pharmacokinetic assessments and it is the first work where bioavailability of latrunculol A was studied. In the present work, a simple plasma preparation and a rapid HPLC method have been developed. Mouse plasma containing latrunculol A was first treated by acetonitrile and then ...


The Genome Of The Medicinal Plant Andrographis Paniculata Provides Insight Into The Biosynthesis Of The Bioactive Diterpenoid Neoandrographolide, Wei Sun, Liang Leng, Qinggang Yin, Meimei Xu, Mingkun Huang, Zhichao Xu, Yujun Zhang, Hui Yao, Caixia Wang, Chao Xiong, Sha Chen, Chunhong Jiang, Ning Xie, Xilong Zheng, Chi Song, Reuben J. Peters, Shilin Chen 2019 Institute of Chinese Materia Medica

The Genome Of The Medicinal Plant Andrographis Paniculata Provides Insight Into The Biosynthesis Of The Bioactive Diterpenoid Neoandrographolide, Wei Sun, Liang Leng, Qinggang Yin, Meimei Xu, Mingkun Huang, Zhichao Xu, Yujun Zhang, Hui Yao, Caixia Wang, Chao Xiong, Sha Chen, Chunhong Jiang, Ning Xie, Xilong Zheng, Chi Song, Reuben J. Peters, Shilin Chen

Biochemistry, Biophysics and Molecular Biology Publications

Andrographis paniculata is a herbaceous dicot plant widely used for its anti‐inflammatory and anti‐viral properties across its distribution in China, India and other Southeast Asian countries. A. paniculata was used as a crucial therapeutic treatment during the influenza epidemic of 1919 in India, and is still used for the treatment of infectious disease in China. A. paniculata produces large quantities of the anti‐inflammatory diterpenoid lactones andrographolide and neoandrographolide, and their analogs, which are touted to be the next generation of natural anti‐inflammatory medicines for lung diseases, hepatitis, neurodegenerative disorders, autoimmune disorders and inflammatory skin diseases. Here ...


The Value Of Universally Available Raw Nmr Data For Transparency, Reproducibility, And Integrity In Natural Product Research., James B McAlpine, Shao-Nong Chen, Andrei Kutateladze, John B MacMillan, Giovanni Appendino, Andersson Barison, Mehdi A Beniddir, Maique W Biavatti, Stefan Bluml, Asmaa Boufridi, Mark S Butler, Robert J Capon, Young H Choi, David Coppage, Phillip Crews, Michael T Crimmins, Marie Csete, Pradeep Dewapriya, Joseph M Egan, Mary J Garson, Grégory Genta-Jouve, William H Gerwick, Harald Gross, Mary Kay Harper, Precilia Hermanto, James M Hook, Luke Hunter, Damien Jeannerat, Nai-Yun Ji, Tyler A. Johnson, David G I Kingston, Hiroyuki Koshino, Hsiau-Wei Lee, Guy Lewin, Jie Li, Roger G Linington, Miaomiao Liu, Kerry L McPhail, Tadeusz F Molinski, Bradley S Moore, Joo-Won Nam, Ram P Neupane, Matthias Niemitz, Jean-Marc Nuzillard, Nicholas H Oberlies, Fernanda M M Ocampos, Guohui Pan, Ronald J Quinn, D Sai Reddy, Jean-Hugues Renault, José Rivera-Chávez, Wolfgang Robien, Carla M Saunders, Thomas J Schmidt, Christoph Seger, Ben Shen, Christoph Steinbeck, Hermann Stuppner, Sonja Sturm, Orazio Taglialatela-Scafati, Dean J Tantillo, Robert Verpoorte, Bin-Gui Wang, Craig M Williams, Philip G Williams, Julien Wist, Jian-Min Yue, Chen Zhang, Zhengren Xu, Charlotte Simmler, David C Lankin, Jonathan Bisson, Guido F Pauli 2019 University of Illinois at Chicago, Illinois, USA

The Value Of Universally Available Raw Nmr Data For Transparency, Reproducibility, And Integrity In Natural Product Research., James B Mcalpine, Shao-Nong Chen, Andrei Kutateladze, John B Macmillan, Giovanni Appendino, Andersson Barison, Mehdi A Beniddir, Maique W Biavatti, Stefan Bluml, Asmaa Boufridi, Mark S Butler, Robert J Capon, Young H Choi, David Coppage, Phillip Crews, Michael T Crimmins, Marie Csete, Pradeep Dewapriya, Joseph M Egan, Mary J Garson, Grégory Genta-Jouve, William H Gerwick, Harald Gross, Mary Kay Harper, Precilia Hermanto, James M Hook, Luke Hunter, Damien Jeannerat, Nai-Yun Ji, Tyler A. Johnson, David G I Kingston, Hiroyuki Koshino, Hsiau-Wei Lee, Guy Lewin, Jie Li, Roger G Linington, Miaomiao Liu, Kerry L Mcphail, Tadeusz F Molinski, Bradley S Moore, Joo-Won Nam, Ram P Neupane, Matthias Niemitz, Jean-Marc Nuzillard, Nicholas H Oberlies, Fernanda M M Ocampos, Guohui Pan, Ronald J Quinn, D Sai Reddy, Jean-Hugues Renault, José Rivera-Chávez, Wolfgang Robien, Carla M Saunders, Thomas J Schmidt, Christoph Seger, Ben Shen, Christoph Steinbeck, Hermann Stuppner, Sonja Sturm, Orazio Taglialatela-Scafati, Dean J Tantillo, Robert Verpoorte, Bin-Gui Wang, Craig M Williams, Philip G Williams, Julien Wist, Jian-Min Yue, Chen Zhang, Zhengren Xu, Charlotte Simmler, David C Lankin, Jonathan Bisson, Guido F Pauli

Tyler Johnson

With contributions from the global natural product (NP) research community, and continuing the Raw Data Initiative, this review collects a comprehensive demonstration of the immense scientific value of disseminating raw nuclear magnetic resonance (NMR) data, independently of, and in parallel with, classical publishing outlets. A comprehensive compilation of historic to present-day cases as well as contemporary and future applications show that addressing the urgent need for a repository of publicly accessible raw NMR data has the potential to transform natural products (NPs) and associated fields of chemical and biomedical research. The call for advancing open sharing mechanisms for raw data ...


The Potential Of Achiral Sponge-Derived And Synthetic Bromoindoles As Selective Cytotoxins Against Panc-1 Tumor Cells., Nicholas Lorig-Roach, Frances Hamkins-Indik, Tyler A. Johnson, Karen Tenney, Frederick A Valeriote, Phillip Crews 2019 University of California, Santa Cruz, California, USA

The Potential Of Achiral Sponge-Derived And Synthetic Bromoindoles As Selective Cytotoxins Against Panc-1 Tumor Cells., Nicholas Lorig-Roach, Frances Hamkins-Indik, Tyler A. Johnson, Karen Tenney, Frederick A Valeriote, Phillip Crews

Tyler Johnson

Our quest to isolate and characterize natural products with in vitro solid tumor selectivity is driven by access to repositories of Indo-Pacific sponge extracts. In this project an extract of a species of Haplosclerida sponge obtained from the US NCI Natural Products Repository displayed, by in vitro disk diffusion assay (DDA) and IC


Mass Stranding Of Marine Birds Caused By A Surfactant-Producing Red Tide., David A. Jessup, Melissa A. Miller, John P. Ryan, Hannah M Nevins, Heather A. Kerkering, Abdou Mekebri, David B. Crane, Tyler A. Johnson, Raphael M. Kudela 2019 California Department of Fish and Game, Marine Wildlife Veterinary Care and Research Center, California, USA

Mass Stranding Of Marine Birds Caused By A Surfactant-Producing Red Tide., David A. Jessup, Melissa A. Miller, John P. Ryan, Hannah M Nevins, Heather A. Kerkering, Abdou Mekebri, David B. Crane, Tyler A. Johnson, Raphael M. Kudela

Tyler Johnson

In November-December 2007 a widespread seabird mortality event occurred in Monterey Bay, California, USA, coincident with a massive red tide caused by the dinoflagellate Akashiwo sanguinea. Affected birds had a slimy yellow-green material on their feathers, which were saturated with water, and they were severely hypothermic. We determined that foam containing surfactant-like proteins, derived from organic matter of the red tide, coated their feathers and neutralized natural water repellency and insulation. No evidence of exposure to petroleum or other oils or biotoxins were found. This is the first documented case of its kind, but previous similar events may have gone ...


Rapid Enzyme-Linked Immunosorbent Assay For Detection Of The Algal Toxin Domoic Acid, R Wayne Litaker, Thomas N. Stewart, Bich-Thuy L. Eberhart, John C. Wekell, Vera L. Trainer, Raphael M. Kudela, Peter E. Miller, Alice Roberts, Cassandra Hertz, Tyler A. Johnson, Greg Frankfurter, G. Jason Smith, Astrid Schnetzer, Joe Schumacker, Jonnette L. Bastian, Anthony Odell, Patrick Gentien, Dominique Le Gal, D Ransom Hardison, Patricia A. Tester 2019 National Ocean Service, NOAA, North Carolina, USA

Rapid Enzyme-Linked Immunosorbent Assay For Detection Of The Algal Toxin Domoic Acid, R Wayne Litaker, Thomas N. Stewart, Bich-Thuy L. Eberhart, John C. Wekell, Vera L. Trainer, Raphael M. Kudela, Peter E. Miller, Alice Roberts, Cassandra Hertz, Tyler A. Johnson, Greg Frankfurter, G. Jason Smith, Astrid Schnetzer, Joe Schumacker, Jonnette L. Bastian, Anthony Odell, Patrick Gentien, Dominique Le Gal, D Ransom Hardison, Patricia A. Tester

Tyler Johnson

Domoic acid (DA) is a potent toxin produced by bloom-forming phytoplankton in the genus Pseudo-nitzschia, which is responsible for causing amnesic shellfish poisoning (ASP) in humans. ASP symptoms include vomiting, diarrhea, and in more severe cases confusion, loss of memory, disorientation, and even coma or death. This paper describes the development and validation of a rapid, sensitive, enzyme linked immunosorbent assay test kit for detecting DA using a monoclonal antibody. The assay gives equivalent results to those obtained using standard high performance liquid chromatography, fluorenylmethoxycarbonyl high performance liquid chromatography, or liquid chromatography—mass spectrometry methods. It has a linear range ...


Myxobacteria Versus Sponge-Derived Alkaloids: The Bengamide Family Identified As Potent Immune Modulating Agents By Scrutiny Of Lc-Ms/Elsd Libraries., Tyler A. Johnson, Johann Sohn, Yvette M Vaske, Kimberly N White, Tanya L Cohen, Helene C Vervoort, Karen Tenney, Frederick A Valeriote, Leonard F Bjeldanes, Phillip Crews 2019 University of California, Berkeley, California, USA

Myxobacteria Versus Sponge-Derived Alkaloids: The Bengamide Family Identified As Potent Immune Modulating Agents By Scrutiny Of Lc-Ms/Elsd Libraries., Tyler A. Johnson, Johann Sohn, Yvette M Vaske, Kimberly N White, Tanya L Cohen, Helene C Vervoort, Karen Tenney, Frederick A Valeriote, Leonard F Bjeldanes, Phillip Crews

Tyler Johnson

A nuclear factor-κB (NF-κB) luciferase assay has been employed to identify the bengamides, previously known for their anti-tumor activity, as a new class of immune modulators. A unique element of this study was that the bengamide analogs were isolated from two disparate sources, Myxococcus virescens (bacterium) and Jaspis coriacea (sponge). Comparative LC-MS/ELSD and NMR analysis facilitated the isolation of M. viriscens derived samples of bengamide E (8) and two congeners, bengamide E' (13) and F' (14) each isolated as an insperable mixture of diastereomers. Additional compounds drawn from the UC, Santa Cruz repository allowed expansion of the structure activity ...


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