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Article ; Online: Unusual Vilasinin-Class Limonoids from

Amuti, Saidanxia / Saito, Yohei / Fukuyoshi, Shuichi / Miyake, Katsunori / Newman, David J / O'Keefe, Barry R / Lee, Kuo-Hsiung / Nakagawa-Goto, Kyoko

Molecules (Basel, Switzerland)

2024 Volume 29, Issue 3

Abstract: Eight vilasinin-class limonoids, including the unusually chlorinated rubescins K-M ( ...

Abstract	Eight vilasinin-class limonoids, including the unusually chlorinated rubescins K-M (
MeSH term(s)	Humans ; Limonins/chemistry ; Cell Line, Tumor ; Meliaceae/chemistry ; Molecular Structure
Chemical Substances	Limonins
Language	English
Publishing date	2024-01-30
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	1413402-0
ISSN	1420-3049 ; 1431-5165 ; 1420-3049
ISSN (online)	1420-3049
ISSN	1431-5165 ; 1420-3049
DOI	10.3390/molecules29030651
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Article ; Online: Caged Xanthones and Biphenyls Isolated from the Tropical Plant

Kobayashi, Ayano / Saito, Yohei / Miyake, Katsunori / Fukuyoshi, Shuichi / Newman, David J / O'Keefe, Barry R / Lee, Kuo-Hsiung / Nakagawa-Goto, Kyoko

Journal of natural products

2024 Volume 87, Issue 2, Page(s) 266–275

Abstract: Four cytotoxic heptacyclic caged-xanthones [gambogefic acids B-E ( ...

Abstract	Four cytotoxic heptacyclic caged-xanthones [gambogefic acids B-E (
MeSH term(s)	Humans ; Garcinia ; Biphenyl Compounds ; Cell Line, Tumor ; Xanthones/pharmacology ; Molecular Structure ; Antineoplastic Agents, Phytogenic/pharmacology
Chemical Substances	diphenyl (2L9GJK6MGN) ; Biphenyl Compounds ; Xanthones ; Antineoplastic Agents, Phytogenic
Language	English
Publishing date	2024-01-22
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	304325-3
ISSN	1520-6025 ; 0163-3864
ISSN (online)	1520-6025
ISSN	0163-3864
DOI	10.1021/acs.jnatprod.3c00934
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Article ; Online: Insight into mithramycin disruption of ETS transcription leads to improved understanding of more selective analogs.

Woldemichael, Girma M / O'Keefe, Barry R

Structure (London, England : 1993)

2021 Volume 29, Issue 5, Page(s) 401–403

Abstract: Fusion products with the ETS family of transcription factors play critical roles in the etiology of several cancers. In this issue of Structure, Hou et al. (2020) provide insight into allosteric mechanisms by which mithramycin and its analogs perturb ... ...

Abstract	Fusion products with the ETS family of transcription factors play critical roles in the etiology of several cancers. In this issue of Structure, Hou et al. (2020) provide insight into allosteric mechanisms by which mithramycin and its analogs perturb protein-DNA interactions in higher-order complexes at a DNA enhancer site.
MeSH term(s)	Base Sequence ; DNA ; Plicamycin/pharmacology ; Transcription Factors
Chemical Substances	Transcription Factors ; DNA (9007-49-2) ; Plicamycin (NIJ123W41V)
Language	English
Publishing date	2021-05-07
Publishing country	United States
Document type	Journal Article ; Research Support, N.I.H., Extramural ; Research Support, N.I.H., Intramural ; Comment
ZDB-ID	1213087-4
ISSN	1878-4186 ; 0969-2126
ISSN (online)	1878-4186
ISSN	0969-2126
DOI	10.1016/j.str.2021.03.010
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Article ; Online: National Cancer Institute (NCI) Program for Natural Product Discovery: Exploring NCI-60 Screening Data of Natural Product Samples with Artificial Neural Networks.

Evans, Jason R / Akee, Rhone K / Chanana, Shaurya / McConachie, Grant D / Thornburg, Christopher C / Grkovic, Tanja / O'Keefe, Barry R

ACS omega

2023 Volume 8, Issue 10, Page(s) 9250–9256

Abstract: National Cancer Institute (NCI) Program for Natural Product Discovery is a new initiative aimed at creating new technologies for natural product-based drug discovery. Here, we present the development of a neural network-based bioinformatics platform for ... ...

Abstract	National Cancer Institute (NCI) Program for Natural Product Discovery is a new initiative aimed at creating new technologies for natural product-based drug discovery. Here, we present the development of a neural network-based bioinformatics platform for visualization and analysis of natural product high-throughput screening data using the NCI's 60 human tumor cell anticancer drug screen. We demonstrate how the tool enables visualization of similar patterns of response that can be parsed both chemically and taxonomically, grouping NCI-60 biological profiles in one easy-to-use bioinformatics interface.
Language	English
Publishing date	2023-03-01
Publishing country	United States
Document type	Journal Article
ISSN	2470-1343
ISSN (online)	2470-1343
DOI	10.1021/acsomega.2c07416
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Article ; Online: Rare Caulamidine Hexacyclic Alkaloids from the Marine Ascidian

Tian, Xiangrong / Wang, Dongdong / Jiang, Wei / Bokesch, Heidi R / Wilson, Brice A P / O'Keefe, Barry R / Gustafson, Kirk R

Journal of natural products

2023 Volume 86, Issue 7, Page(s) 1855–1861

Abstract: Two new caulamidines C ( ...

Abstract	Two new caulamidines C (
MeSH term(s)	Animals ; Urochordata/chemistry ; Alkaloids/pharmacology ; Alkaloids/chemistry ; Magnetic Resonance Spectroscopy ; Magnetic Resonance Imaging ; Antineoplastic Agents ; Molecular Structure
Chemical Substances	Alkaloids ; Antineoplastic Agents
Language	English
Publishing date	2023-06-27
Publishing country	United States
Document type	Journal Article ; Research Support, N.I.H., Extramural ; Research Support, N.I.H., Intramural ; Research Support, Non-U.S. Gov't
ZDB-ID	304325-3
ISSN	1520-6025 ; 0163-3864
ISSN (online)	1520-6025
ISSN	0163-3864
DOI	10.1021/acs.jnatprod.3c00393
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Article ; Online: Formation of Trideuteromethylated Artifacts of Pyrrole-Containing Natural Products.

Orfanoudaki, Maria / Akee, Rhone K / Martínez-Fructuoso, Lucero / Wang, Dongdong / Kelley, James A / Smith, Emily A / Henrich, Curtis J / Schnermann, Martin J / O'Keefe, Barry R / Grkovic, Tanja

Journal of natural products

2024 Volume 87, Issue 2, Page(s) 415–423

Abstract: Pyrrole-containing natural products form a large group of structurally diverse compounds that occur in both terrestrial and marine organisms. In the present study the formation of trideuteromethylated artifacts of pyrrole-containing natural products was ... ...

Abstract	Pyrrole-containing natural products form a large group of structurally diverse compounds that occur in both terrestrial and marine organisms. In the present study the formation of trideuteromethylated artifacts of pyrrole-containing natural products was investigated, focusing on the discorhabdins. Three deuterated discorhabdins,
MeSH term(s)	Humans ; Dimethyl Sulfoxide/chemistry ; Pyrroles/chemistry ; Biological Products/pharmacology ; Artifacts ; Solvents/chemistry
Chemical Substances	Dimethyl Sulfoxide (YOW8V9698H) ; Pyrroles ; Biological Products ; Solvents
Language	English
Publishing date	2024-01-30
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't ; Research Support, N.I.H., Intramural
ZDB-ID	304325-3
ISSN	1520-6025 ; 0163-3864
ISSN (online)	1520-6025
ISSN	0163-3864
DOI	10.1021/acs.jnatprod.3c01113
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Article ; Online: Neopetrotaurines A-C, Isoquinoline Alkaloids with an Unprecedented Taurine Bridge from the Sponge

Wang, Dongdong / Jiang, Wei / Churiwal, Mehal / Jia, Katrina / Senadeera, Sarath P D / Bokesch, Heidi R / Woldemichael, Girma M / Kim, Yong / Hawley, Robert G / Wei, Jun S / Khan, Javed / O'Keefe, Barry R / Beutler, John A / Gustafson, Kirk R

Journal of natural products

2024 Volume 87, Issue 2, Page(s) 332–339

Abstract: Neopetrotaurines A-C ( ...

Abstract	Neopetrotaurines A-C (
MeSH term(s)	Animals ; Porifera ; Rhabdomyosarcoma, Alveolar/metabolism ; Cell Line ; Alkaloids/pharmacology ; Isoquinolines/pharmacology
Chemical Substances	Alkaloids ; Isoquinolines
Language	English
Publishing date	2024-01-31
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't ; Research Support, N.I.H., Intramural
ZDB-ID	304325-3
ISSN	1520-6025 ; 0163-3864
ISSN (online)	1520-6025
ISSN	0163-3864
DOI	10.1021/acs.jnatprod.3c01041
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Article ; Online: Creating and screening natural product libraries.

Wilson, Brice A P / Thornburg, Christopher C / Henrich, Curtis J / Grkovic, Tanja / O'Keefe, Barry R

Natural product reports

2020 Volume 37, Issue 7, Page(s) 893–918

Abstract: Covering: up to 2020The National Cancer Institute of the United States (NCI) has initiated a Cancer Moonshot program entitled the NCI Program for Natural Product Discovery. As part of this effort, the NCI is producing a library of 1 000 000 partially ... ...

Abstract	Covering: up to 2020The National Cancer Institute of the United States (NCI) has initiated a Cancer Moonshot program entitled the NCI Program for Natural Product Discovery. As part of this effort, the NCI is producing a library of 1 000 000 partially purified natural product fractions which are being plated into 384-well plates and provided to the research community free of charge. As the first 326 000 of these fractions have now been made available, this review seeks to describe the general methods used to collect organisms, extract those organisms, and create a prefractionated library. Importantly, this review also details both cell-based and cell-free bioassay methods and the adaptations necessary to those methods to productively screen natural product libraries. Finally, this review briefly describes post-screen dereplication and compound purification and scale up procedures which can efficiently identify active compounds and produce sufficient quantities of natural products for further pre-clinical development.
MeSH term(s)	Biological Assay/methods ; Biological Products/chemistry ; Biological Products/pharmacology ; Drug Discovery/methods ; High-Throughput Screening Assays/methods ; Humans ; Small Molecule Libraries/chemistry
Chemical Substances	Biological Products ; Small Molecule Libraries
Language	English
Publishing date	2020-03-18
Publishing country	England
Document type	Journal Article ; Research Support, N.I.H., Extramural ; Research Support, N.I.H., Intramural ; Review
ZDB-ID	2002546-4
ISSN	1460-4752 ; 0265-0568
ISSN (online)	1460-4752
ISSN	0265-0568
DOI	10.1039/c9np00068b
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Article ; Online: Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.

Du, Lin / Wilson, Brice A P / Li, Ning / Shah, Rohan / Dalilian, Masoumeh / Wang, Dongdong / Smith, Emily A / Wamiru, Antony / Goncharova, Ekaterina I / Zhang, Ping / O'Keefe, Barry R

Journal of natural products

2023 Volume 86, Issue 10, Page(s) 2283–2293

Abstract: ... ...

Abstract	The
MeSH term(s)	Humans ; Protein Kinase Inhibitors/pharmacology ; Protein Serine-Threonine Kinases ; Carcinoma, Hepatocellular/pathology ; Biological Products ; Serine ; HSP40 Heat-Shock Proteins/chemistry ; HSP40 Heat-Shock Proteins/genetics ; HSP40 Heat-Shock Proteins/metabolism
Chemical Substances	Protein Kinase Inhibitors ; Protein Serine-Threonine Kinases (EC 2.7.11.1) ; Biological Products ; Serine (452VLY9402) ; DNAJB1 protein, human ; HSP40 Heat-Shock Proteins
Language	English
Publishing date	2023-10-16
Publishing country	United States
Document type	Journal Article ; Research Support, N.I.H., Intramural ; Research Support, N.I.H., Extramural
ZDB-ID	304325-3
ISSN	1520-6025 ; 0163-3864
ISSN (online)	1520-6025
ISSN	0163-3864
DOI	10.1021/acs.jnatprod.3c00394
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Article ; Online: Biochemical Discovery, Intracellular Evaluation, and Crystallographic Characterization of Synthetic and Natural Product Adenosine 3',5'-Cyclic Monophosphate-Dependent Protein Kinase A (PKA) Inhibitors.

Wilson, Brice A P / Li, Ning / Martinez Fiesco, Juliana A / Dalilian, Masoumeh / Wang, Dongdong / Smith, Emily A / Wamiru, Antony / Shah, Rohan / Goncharova, Ekaterina I / Beutler, John A / Grkovic, Tanja / Zhang, Ping / O'Keefe, Barry R

ACS pharmacology & translational science

2023 Volume 6, Issue 4, Page(s) 633–650

Abstract: The recent demonstration that adenosine 3',5'-cyclic monophosphate (cAMP)-dependent protein kinase A (PKA) plays an oncogenic role in a number of important cancers has led to a renaissance in drug development interest targeting this kinase. We therefore ... ...

Abstract	The recent demonstration that adenosine 3',5'-cyclic monophosphate (cAMP)-dependent protein kinase A (PKA) plays an oncogenic role in a number of important cancers has led to a renaissance in drug development interest targeting this kinase. We therefore have established a suite of biochemical, cell-based, and structural biology assays for identifying and evaluating new pharmacophores for PKA inhibition. This discovery process started with a 384-well high-throughput screen of more than 200,000 substances, including fractionated natural product extracts. Identified active compounds were further prioritized in biochemical, biophysical, and cell-based assays. Priority lead compounds were assessed in detail to fully characterize several previously unrecognized PKA pharmacophores including the generation of new X-ray crystallography structures demonstrating unique interactions between PKA and bound inhibitor molecules.
Language	English
Publishing date	2023-03-21
Publishing country	United States
Document type	Journal Article
ISSN	2575-9108
ISSN (online)	2575-9108
DOI	10.1021/acsptsci.3c00010
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