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Article ; Online: From the Spectroscopic Reassessment of Authentic Alkaloid Samples to the Molecular Networking-Guided Discovery of Criophylline-Related Analogues from

Otogo N'Nang, Elvis / Cauchie, Gaëla / Retailleau, Pascal / Agnandji, Selidji Todagbe / Gallard, Jean-François / Mouray, Elisabeth / Grellier, Philippe / Champy, Pierre / Le Pogam, Pierre / Beniddir, Mehdi A

Journal of natural products

2023 Volume 86, Issue 5, Page(s) 1202–1210

Abstract: The molecular network-guided exploration of the alkaloid extract ... ...

Abstract	The molecular network-guided exploration of the alkaloid extract of
MeSH term(s)	Alkaloids/chemistry ; Chloroquine ; Indole Alkaloids/chemistry ; Tabernaemontana ; Monoterpenes ; Antineoplastic Agents ; Molecular Structure
Chemical Substances	Alkaloids ; Chloroquine (886U3H6UFF) ; Indole Alkaloids ; Monoterpenes ; Antineoplastic Agents
Language	English
Publishing date	2023-05-08
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.2c01084
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Article ; Online: Biodereplication of Antiplasmodial Extracts: Application of the Amazonian Medicinal Plant

Vásquez-Ocmín, Pedro G / Gallard, Jean-François / Van Baelen, Anne-Cécile / Leblanc, Karine / Cojean, Sandrine / Mouray, Elisabeth / Grellier, Philippe / Guerra, Carlos A Amasifuén / Beniddir, Mehdi A / Evanno, Laurent / Figadère, Bruno / Maciuk, Alexandre

Molecules (Basel, Switzerland)

2022 Volume 27, Issue 21

Abstract: Improved methodological tools to hasten antimalarial drug discovery remain of interest, especially when considering natural products as a source of drug candidates. We propose a biodereplication method combining the classical dereplication approach with ... ...

Abstract	Improved methodological tools to hasten antimalarial drug discovery remain of interest, especially when considering natural products as a source of drug candidates. We propose a biodereplication method combining the classical dereplication approach with the early detection of potential antiplasmodial compounds in crude extracts. Heme binding is used as a surrogate of the antiplasmodial activity and is monitored by mass spectrometry in a biomimetic assay. Molecular networking and automated annotation of targeted mass through data mining were followed by mass-guided compound isolation by taking advantage of the versatility and finely tunable selectivity offered by centrifugal partition chromatography. This biodereplication workflow was applied to an ethanolic extract of the Amazonian medicinal plant
MeSH term(s)	Plants, Medicinal/chemistry ; Antimalarials/chemistry ; Piper ; Plant Leaves/chemistry ; Plasmodium falciparum ; Plant Extracts/chemistry ; Vegetables ; Heme
Chemical Substances	Antimalarials ; Plant Extracts ; Heme (42VZT0U6YR)
Language	English
Publishing date	2022-11-07
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/molecules27217638
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Article ; Online: Biodereplication of Antiplasmodial Extracts

Pedro G. Vásquez-Ocmín / Jean-François Gallard / Anne-Cécile Van Baelen / Karine Leblanc / Sandrine Cojean / Elisabeth Mouray / Philippe Grellier / Carlos A. Amasifuén Guerra / Mehdi A. Beniddir / Laurent Evanno / Bruno Figadère / Alexandre Maciuk

Molecules, Vol 27, Iss 7638, p

Application of the Amazonian Medicinal Plant Piper coruscans Kunth

2022 Volume 7638

Abstract	Improved methodological tools to hasten antimalarial drug discovery remain of interest, especially when considering natural products as a source of drug candidates. We propose a biodereplication method combining the classical dereplication approach with the early detection of potential antiplasmodial compounds in crude extracts. Heme binding is used as a surrogate of the antiplasmodial activity and is monitored by mass spectrometry in a biomimetic assay. Molecular networking and automated annotation of targeted mass through data mining were followed by mass-guided compound isolation by taking advantage of the versatility and finely tunable selectivity offered by centrifugal partition chromatography. This biodereplication workflow was applied to an ethanolic extract of the Amazonian medicinal plant Piper coruscans Kunth (Piperaceae) showing an IC 50 of 1.36 µg/mL on the 3D7 Plasmodium falciparum strain. It resulted in the isolation of twelve compounds designated as potential antiplasmodial compounds by the biodereplication workflow. Two chalcones, aurentiacin (1) and cardamonin (3), with IC 50 values of 2.25 and 5.5 µM, respectively, can be considered to bear the antiplasmodial activity of the extract, with the latter not relying on a heme-binding mechanism. This biodereplication method constitutes a rapid, efficient, and robust technique to identify potential antimalarial compounds in complex extracts such as plant extracts.
Keywords	Piper coruscans Kunth (Piperaceae) ; biodereplication ; heme binding ; mass spectrometry ; Plasmodium ; Organic chemistry ; QD241-441
Subject code	540
Language	English
Publishing date	2022-11-01T00:00:00Z
Publisher	MDPI AG
Document type	Article ; Online
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Article ; Online: Ventilation/perfusion SPECT/CT findings in different lung lesions associated with COVID-19: a case series.

Cobes, Nina / Guernou, Mohamed / Lussato, David / Queneau, Mathieu / Songy, Bernard / Bonardel, Gérald / Grellier, Jean-François

European journal of nuclear medicine and molecular imaging

2020 Volume 47, Issue 10, Page(s) 2453–2460

Abstract: ... France) between April 2, 2020, and April 10, 2020. These patients had persistent dyspnea or chest pain ...

Abstract	Purpose: The aim of this series of cases is to show the aspects of ventilation/perfusion single-photon emission computed tomography combined with computed tomography (V/Q SPECT/CT) in patients hospitalized for COVID-19 pneumonia, with the worsening of respiratory symptoms raising the suspicion of a pulmonary embolism. Patients did not benefit from CT angiography for various reasons: a contraindication, unavailability of the CT angiography, or a low clinical probability for pulmonary embolism. Methods: We retrospectively describe the results of the V/Q SPECT/CT of five patients hospitalized for COVID-19 pneumonia in the nuclear medicine departments of the Centre Cardiologique du Nord and of the Delafontaine hospital in Saint-Denis (Ile-de-France, France) between April 2, 2020, and April 10, 2020. These patients had persistent dyspnea or chest pain suggesting pulmonary embolism. Results: The V/Q SPECT/CT allowed to diagnose a pulmonary embolism in one of these five patients. We also noted several characteristics of the perfusion and ventilation depending on the lung lesions on the CT scan. The areas affected by COVID-19 were most often responsible for ventilatory anomalies with a relatively preserved perfusion. In more advanced cases of pneumonia, with alveolar fillings, the perfusion was also reduced or absent in accordance with large ventilation defects. In addition, the healthy parenchyma appeared to benefit from an uptake in ventilation and perfusion. Conclusion: V/Q SPECT/CT can play a role in the management of patients hospitalized for COVID-19 for the diagnosis of embolic complications with meticulous hygienic precautions. The different characteristics of the ventilatory and perfusion anomalies related to COVID-19 pneumonia will be confirmed with the next cases. In addition, in this pandemic context and facing a significant infectious risk, the utility of ventilation will also have to be specified.
MeSH term(s)	Adult ; Aged ; Blood Coagulation ; COVID-19 ; Coronavirus Infections/diagnostic imaging ; Disease Progression ; Dyspnea/complications ; Female ; France ; Hospitalization ; Humans ; Lung/diagnostic imaging ; Male ; Middle Aged ; Pandemics ; Pneumonia, Viral/diagnostic imaging ; Probability ; Pulmonary Embolism/diagnostic imaging ; Pulmonary Embolism/virology ; Retrospective Studies ; Single Photon Emission Computed Tomography Computed Tomography ; Ventilation-Perfusion Ratio
Keywords	covid19
Language	English
Publishing date	2020-06-18
Publishing country	Germany
Document type	Journal Article
ZDB-ID	8236-3
ISSN	1619-7089 ; 0340-6997 ; 1619-7070
ISSN (online)	1619-7089
ISSN	0340-6997 ; 1619-7070
DOI	10.1007/s00259-020-04920-w
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Article ; Online: Corynanthean-Epicatechin Flavoalkaloids from

Kouamé, Tapé / Okpekon, Aboua Timothée / Bony, Nicaise F / N'Tamon, Amon Diane / Gallard, Jean-François / Rharrabti, Somia / Leblanc, Karine / Mouray, Elisabeth / Grellier, Philippe / Champy, Pierre / Beniddir, Mehdi A / Le Pogam, Pierre

Molecules (Basel, Switzerland)

2020 Volume 25, Issue 11

Abstract: Epicatechocorynantheines A and B, and epicatechocorynantheidine were isolated from the stem bark ... ...

Abstract	Epicatechocorynantheines A and B, and epicatechocorynantheidine were isolated from the stem bark of
MeSH term(s)	Anthelmintics/pharmacology ; Catechin/chemistry ; Flavonoids/chemistry ; Indole Alkaloids/chemistry ; Inhibitory Concentration 50 ; Magnetic Resonance Spectroscopy ; Mass Spectrometry ; Molecular Structure ; Monoterpenes/chemistry ; Pausinystalia/chemistry ; Plant Bark/chemistry ; Plant Stems/chemistry
Chemical Substances	Anthelmintics ; Flavonoids ; Indole Alkaloids ; Monoterpenes ; corynanthean ; Catechin (8R1V1STN48)
Language	English
Publishing date	2020-06-07
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/molecules25112654
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Article ; Online: Molecular Networking Reveals Serpentinine-Related Bisindole Alkaloids from

Alcover, Charlotte Fox / Bernadat, Guillaume / Kabran, Faustin A / Le Pogam, Pierre / Leblanc, Karine / Fox Ramos, Alexander E / Gallard, Jean-François / Mouray, Elisabeth / Grellier, Philippe / Poupon, Erwan / Beniddir, Mehdi A

Journal of natural products

2020 Volume 83, Issue 4, Page(s) 1207–1216

Abstract: Five new monoterpene indole alkaloids ( ...

Abstract	Five new monoterpene indole alkaloids (
MeSH term(s)	Antiparasitic Agents/chemistry ; Antiparasitic Agents/pharmacology ; Apocynaceae/anatomy & histology ; Apocynaceae/chemistry ; Indole Alkaloids/chemistry ; Molecular Structure ; Monoterpenes/chemistry ; Monoterpenes/isolation & purification ; Monoterpenes/pharmacology ; Plasmodium falciparum/chemistry ; Secologanin Tryptamine Alkaloids/chemistry
Chemical Substances	Antiparasitic Agents ; Indole Alkaloids ; Monoterpenes ; Secologanin Tryptamine Alkaloids ; serpentine (alkaloid) (B503RKE34F)
Language	English
Publishing date	2020-02-24
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.9b01247
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Article ; Online: Corynanthean-Epicatechin Flavoalkaloids from Corynanthe pachyceras

Tapé Kouamé / Aboua Timothée Okpekon / Nicaise F. Bony / Amon Diane N’Tamon / Jean-François Gallard / Somia Rharrabti / Karine Leblanc / Elisabeth Mouray / Philippe Grellier / Pierre Champy / Mehdi A. Beniddir / Pierre Le Pogam

Molecules, Vol 25, Iss 2654, p

2020 Volume 2654

Abstract: Epicatechocorynantheines A and B, and epicatechocorynantheidine were isolated from the stem bark of Corynanthe pachyceras . These molecules were pinpointed, and their isolation streamlined, by a molecular networking strategy. The structural elucidation ... ...

Abstract	Epicatechocorynantheines A and B, and epicatechocorynantheidine were isolated from the stem bark of Corynanthe pachyceras . These molecules were pinpointed, and their isolation streamlined, by a molecular networking strategy. The structural elucidation was unambiguously accomplished from HRMS and 1D/2D NMR data. These compounds represent the first examples of corynanthean-type alkaloids tethered with a flavonoid. Epicatechocorynantheidine notably instigated two connections between the monoterpene indole alkaloid and the flavonoid, yielding an unprecedented octacyclic appendage. These flavoalkaloids exerted moderate antiplasmodial activities.
Keywords	rubiaceae ; Corynanthe pachyceras ; flavoalkaloids ; monoterpene indole alkaloids ; molecular networking ; Organic chemistry ; QD241-441
Language	English
Publishing date	2020-06-01T00:00:00Z
Publisher	MDPI AG
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article: Ventilation/perfusion SPECT/CT findings in different lung lesions associated with COVID-19: a case series

Cobes, Nina / Guernou, Mohamed / Lussato, David / Queneau, Mathieu / Songy, Bernard / Bonardel, Gérald / Grellier, Jean-François

Eur J Nucl Med Mol Imaging

Abstract: ... France) between April 2, 2020, and April 10, 2020. These patients had persistent dyspnea or chest pain ...

Abstract	PURPOSE: The aim of this series of cases is to show the aspects of ventilation/perfusion single-photon emission computed tomography combined with computed tomography (V/Q SPECT/CT) in patients hospitalized for COVID-19 pneumonia, with the worsening of respiratory symptoms raising the suspicion of a pulmonary embolism. Patients did not benefit from CT angiography for various reasons: a contraindication, unavailability of the CT angiography, or a low clinical probability for pulmonary embolism. METHODS: We retrospectively describe the results of the V/Q SPECT/CT of five patients hospitalized for COVID-19 pneumonia in the nuclear medicine departments of the Centre Cardiologique du Nord and of the Delafontaine hospital in Saint-Denis (Ile-de-France, France) between April 2, 2020, and April 10, 2020. These patients had persistent dyspnea or chest pain suggesting pulmonary embolism. RESULTS: The V/Q SPECT/CT allowed to diagnose a pulmonary embolism in one of these five patients. We also noted several characteristics of the perfusion and ventilation depending on the lung lesions on the CT scan. The areas affected by COVID-19 were most often responsible for ventilatory anomalies with a relatively preserved perfusion. In more advanced cases of pneumonia, with alveolar fillings, the perfusion was also reduced or absent in accordance with large ventilation defects. In addition, the healthy parenchyma appeared to benefit from an uptake in ventilation and perfusion. CONCLUSION: V/Q SPECT/CT can play a role in the management of patients hospitalized for COVID-19 for the diagnosis of embolic complications with meticulous hygienic precautions. The different characteristics of the ventilatory and perfusion anomalies related to COVID-19 pneumonia will be confirmed with the next cases. In addition, in this pandemic context and facing a significant infectious risk, the utility of ventilation will also have to be specified.
Keywords	covid19
Publisher	WHO
Document type	Article
Note	WHO #Covidence: #603744
Database	COVID19

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Article ; Online: Images of COVID-19 Infection Cases in Asymptomatic or Paucisymptomatic Patients With Neoplastic Diseases on 18F-FDG PET/CT.

Grellier, Jean-François / Lussato, David / Guernou, Mohamed / Queneau, Mathieu / Bonardel, Gérald

Clinical nuclear medicine

2020 Volume 45, Issue 12, Page(s) 965–966

Abstract: We describe the results of F-FDG PET/CT of 3 patients referred to our institution during the single day of Monday, March 23, 2020, for an initial assessment of cancer extension or for the therapeutic evaluation of chemotherapy of neoplastic pathology, ... ...

Abstract	We describe the results of F-FDG PET/CT of 3 patients referred to our institution during the single day of Monday, March 23, 2020, for an initial assessment of cancer extension or for the therapeutic evaluation of chemotherapy of neoplastic pathology, with no obvious infectious or respiratory symptoms at the time of examination. A retrospective review of the recent clinical history of patients in association with the typical pulmonary images on CT scan suggested the diagnosis of COVID-19. The characteristic aspects of COVID-19 infection should be recognized on F-FDG PET/CT, even if patients are asymptomatic or minimally symptomatic.
MeSH term(s)	Betacoronavirus ; COVID-19 ; Coronavirus Infections/complications ; Coronavirus Infections/diagnostic imaging ; Female ; Fluorodeoxyglucose F18 ; Humans ; Male ; Middle Aged ; Neoplasms/complications ; Pandemics ; Pneumonia, Viral/complications ; Pneumonia, Viral/diagnostic imaging ; Positron Emission Tomography Computed Tomography ; Retrospective Studies ; SARS-CoV-2
Chemical Substances	Fluorodeoxyglucose F18 (0Z5B2CJX4D)
Keywords	covid19
Language	English
Publishing date	2020-08-17
Publishing country	United States
Document type	Journal Article
ZDB-ID	197628-x
ISSN	1536-0229 ; 0363-9762
ISSN (online)	1536-0229
ISSN	0363-9762
DOI	10.1097/RLU.0000000000003255
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Article ; Online: Eumitrins C-E: Structurally diverse xanthone dimers from the vietnamese lichen Usnea baileyi.

Nguyen, Van-Kieu / Genta-Jouve, Grégory / Duong, Thuc-Huy / Beniddir, Mehdi A / Gallard, Jean-François / Ferron, Solenn / Boustie, Joël / Mouray, Elisabeth / Grellier, Philippe / Chavasiri, Warinthorn / Le Pogam, Pierre

Fitoterapia

2019 Volume 141, Page(s) 104449

Abstract: Three new xanthone dimers, eumitrins C - E (1-3), along with a new depsidone, 3'-O-demethylcryptostictinolide (4) were isolated from the acetone extract of the whole thallus of the lichen Usnea baileyi collected in Vietnam. Their structures were ... ...

Abstract	Three new xanthone dimers, eumitrins C - E (1-3), along with a new depsidone, 3'-O-demethylcryptostictinolide (4) were isolated from the acetone extract of the whole thallus of the lichen Usnea baileyi collected in Vietnam. Their structures were unambiguously established by spectroscopic analyses (HRESIMS, 1D and 2D NMR), as well as comparison to literature data. The absolute configurations of 1-3 were elucidated through electronic circular dichroism (ECD) analyses. The absolute configuration of 2 was validated by comparison between experimental and TDDFT-calculated ECD spectra while that of 3 was based on DFT-NMR calculations and subsequent DP4 probability score. The antiparasitic activities against Plasmodium falciparum as well as the cytotoxic activity against seven cell lines were determined for the new compounds 1-3, and led from null to mild bioactivities.
MeSH term(s)	Circular Dichroism ; Magnetic Resonance Spectroscopy ; Molecular Structure ; Plant Extracts/chemistry ; Plant Extracts/isolation & purification ; Usnea/chemistry ; Vietnam ; Xanthones/chemistry
Chemical Substances	Plant Extracts ; Xanthones ; xanthone (9749WEV0CA)
Language	English
Publishing date	2019-12-06
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	412385-2
ISSN	1873-6971 ; 0367-326X
ISSN (online)	1873-6971
ISSN	0367-326X
DOI	10.1016/j.fitote.2019.104449
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