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  1. Artikel ; Online: Uncaria tomentosa

    Yepes-Pérez, Andres F / Herrera-Calderon, Oscar / Quintero-Saumeth, Jorge

    Journal of biomolecular structure & dynamics

    2020  Band 40, Heft 5, Seite(n) 2227–2243

    Abstract: COVID-19 is a novel severe acute respiratory syndrome coronavirus. Currently, there is no effective treatment and vaccines seem to be the solution in the future. Virtual screening of potential drugs against the S protein of severe acute respiratory ... ...

    Abstract COVID-19 is a novel severe acute respiratory syndrome coronavirus. Currently, there is no effective treatment and vaccines seem to be the solution in the future. Virtual screening of potential drugs against the S protein of severe acute respiratory syndrome corona virus 2 (SARS-CoV-2) has provided small molecular compounds with a high binding affinity. Unfortunately, most of these drugs do not attach with the binding interface of the receptor-binding domain (RBD)-angiotensin-converting enzyme-2 (ACE-2) complex in host cells. Molecular modeling was carried out to evaluate the potential antiviral properties of the components of the medicinal herb
    Mesh-Begriff(e) COVID-19/drug therapy ; Cat's Claw/chemistry ; Herbal Medicine ; Humans ; Plant Extracts/chemistry ; Plant Extracts/pharmacology ; Plants, Medicinal ; SARS-CoV-2 ; Spike Glycoprotein, Coronavirus
    Chemische Substanzen Plant Extracts ; Spike Glycoprotein, Coronavirus ; spike protein, SARS-CoV-2
    Schlagwörter covid19
    Sprache Englisch
    Erscheinungsdatum 2020-10-29
    Erscheinungsland England
    Dokumenttyp Journal Article
    ZDB-ID 49157-3
    ISSN 1538-0254 ; 0739-1102
    ISSN (online) 1538-0254
    ISSN 0739-1102
    DOI 10.1080/07391102.2020.1837676
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

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  2. Artikel: Synthesis and Chemopreventive Potential of 5-FU/Genistein Hybrids on Colorectal Cancer Cells.

    Moreno-Quintero, Gustavo / Castrillón-Lopez, Wilson / Herrera-Ramirez, Angie / Yepes-Pérez, Andrés F / Quintero-Saumeth, Jorge / Cardona-Galeano, Wilson

    Pharmaceuticals (Basel, Switzerland)

    2022  Band 15, Heft 10

    Abstract: A series of 5-FU-Genistein hybrids were synthesized and their structures were elucidated by spectroscopic analysis. The chemopreventive potential of these compounds was evaluated in human colon adenocarcinoma cells (SW480 and SW620) and non-malignant ... ...

    Abstract A series of 5-FU-Genistein hybrids were synthesized and their structures were elucidated by spectroscopic analysis. The chemopreventive potential of these compounds was evaluated in human colon adenocarcinoma cells (SW480 and SW620) and non-malignant cell lines (HaCaT and CHO-K1). Hybrid
    Sprache Englisch
    Erscheinungsdatum 2022-10-21
    Erscheinungsland Switzerland
    Dokumenttyp Journal Article
    ZDB-ID 2193542-7
    ISSN 1424-8247
    ISSN 1424-8247
    DOI 10.3390/ph15101299
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

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  3. Artikel ; Online: Chemopreventive Effect on Human Colon Adenocarcinoma Cells of Styrylquinolines: Synthesis, Cytotoxicity, Proapoptotic Effect and Molecular Docking Analysis.

    Bedoya-Betancur, Vanesa / Correa, Elizabeth / Rendón, Juan Pablo / Yepes-Pérez, Andrés F / Cardona-Galeano, Wilson / Naranjo, Tonny W

    Molecules (Basel, Switzerland)

    2022  Band 27, Heft 20

    Abstract: Seven styrylquinolines were synthesized in this study. Two of these styrylquinolines are new and were elucidated by spectroscopic analysis. The chemopreventive potential of these compounds was evaluated against SW480 human colon adenocarcinoma cells, its ...

    Abstract Seven styrylquinolines were synthesized in this study. Two of these styrylquinolines are new and were elucidated by spectroscopic analysis. The chemopreventive potential of these compounds was evaluated against SW480 human colon adenocarcinoma cells, its metastatic derivative SW620, and normal cells (HaCaT). According to the results, compounds
    Mesh-Begriff(e) Humans ; Colonic Neoplasms/drug therapy ; Colonic Neoplasms/pathology ; Caspase 3/metabolism ; Molecular Docking Simulation ; Reactive Oxygen Species/metabolism ; Adenocarcinoma/drug therapy ; Adenocarcinoma/pathology ; Cell Line, Tumor ; Anticarcinogenic Agents/pharmacology ; Apoptosis ; Antineoplastic Agents/pharmacology ; Antineoplastic Agents/chemistry ; Apoptosis Regulatory Proteins ; Cell Proliferation
    Chemische Substanzen Caspase 3 (EC 3.4.22.-) ; styrylquinoline ; Reactive Oxygen Species ; Anticarcinogenic Agents ; Antineoplastic Agents ; Apoptosis Regulatory Proteins
    Sprache Englisch
    Erscheinungsdatum 2022-10-21
    Erscheinungsland Switzerland
    Dokumenttyp 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/molecules27207108
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    Zs.MO 81: Hefte anzeigen

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  4. Artikel ; Online: Uncaria tomentosa (cat’s claw)

    Yepes-Pérez, Andres F. / Herrera-Calderon, Oscar / Quintero-Saumeth, Jorge

    Journal of Biomolecular Structure and Dynamics

    a promising herbal medicine against SARS-CoV-2/ACE-2 junction and SARS-CoV-2 spike protein based on molecular modeling

    2020  , Seite(n) 1–17

    Schlagwörter Molecular Biology ; Structural Biology ; General Medicine ; covid19
    Sprache Englisch
    Verlag Informa UK Limited
    Erscheinungsland uk
    Dokumenttyp Artikel ; Online
    ZDB-ID 49157-3
    ISSN 1538-0254 ; 0739-1102
    ISSN (online) 1538-0254
    ISSN 0739-1102
    DOI 10.1080/07391102.2020.1837676
    Datenquelle BASE - Bielefeld Academic Search Engine (Lebenswissenschaftliche Auswahl)

    Volltext online

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  5. Artikel: Uncaria tomentosa (cat's claw): a promising herbal medicine against SARS-CoV-2/ACE-2 junction and SARS-CoV-2 spike protein based on molecular modeling

    Yepes-Pérez, Andres F / Herrera-Calderon, Oscar / Quintero-Saumeth, Jorge

    J Biomol Struct Dyn

    Abstract: COVID-19 is a novel severe acute respiratory syndrome coronavirus. Currently, there is no effective treatment and vaccines seem to be the solution in the future. Virtual screening of potential drugs against the S protein of severe acute respiratory ... ...

    Abstract COVID-19 is a novel severe acute respiratory syndrome coronavirus. Currently, there is no effective treatment and vaccines seem to be the solution in the future. Virtual screening of potential drugs against the S protein of severe acute respiratory syndrome corona virus 2 (SARS-CoV-2) has provided small molecular compounds with a high binding affinity. Unfortunately, most of these drugs do not attach with the binding interface of the receptor-binding domain (RBD)-angiotensin-converting enzyme-2 (ACE-2) complex in host cells. Molecular modeling was carried out to evaluate the potential antiviral properties of the components of the medicinal herb Uncaria tomentosa (cat's claw) focusing on the binding interface of the RBD-ACE-2 and the viral spike protein. The in silico approach starts with protein-ligand docking of 26 Cat's claw key components followed by molecular dynamics simulations and re-docked calculations. Finally, we carried out drug-likeness calculations for the most qualified cat's claw components. The structural bioinformatics approaches led to the identification of several bioactive compounds of U. tomentosa with potential therapeutic effect by dual strong interaction with interface of the RBD-ACE-2 and the ACE-2 binding site on SARS-CoV-2 RBD viral spike. In addition, in silico drug-likeness indices for these components were calculated and showed good predicted therapeutic profiles of these phytochemicals found in U. tomentosa (cat's claw). Our findings suggest the potential effectiveness of cat's claw as complementary and/or alternative medicine for COVID-19 treatment. Communicated by Ramaswamy H. Sarma.
    Schlagwörter covid19
    Verlag WHO
    Dokumenttyp Artikel
    Anmerkung WHO #Covidence: #894478
    Datenquelle COVID19

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  6. Artikel: Investigating Potential Inhibitory Effect of

    Yepes-Pérez, Andres F / Herrera-Calderon, Oscar / Sánchez-Aparicio, José-Emilio / Tiessler-Sala, Laura / Maréchal, Jean-Didier / Cardona-G, Wilson

    Evidence-based complementary and alternative medicine : eCAM

    2020  Band 2020, Seite(n) 4932572

    Abstract: COVID-19 is a disease caused by severe acute respiratory syndrome coronavirus 2. Presently, there is no effective treatment for COVID-19. As part of the worldwide efforts to find efficient therapies and preventions, it has been reported the crystalline ... ...

    Abstract COVID-19 is a disease caused by severe acute respiratory syndrome coronavirus 2. Presently, there is no effective treatment for COVID-19. As part of the worldwide efforts to find efficient therapies and preventions, it has been reported the crystalline structure of the SARS-CoV-2 main protease M
    Schlagwörter covid19
    Sprache Englisch
    Erscheinungsdatum 2020-09-30
    Erscheinungsland United States
    Dokumenttyp Journal Article
    ZDB-ID 2171158-6
    ISSN 1741-4288 ; 1741-427X
    ISSN (online) 1741-4288
    ISSN 1741-427X
    DOI 10.1155/2020/4932572
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

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  7. Artikel ; Online: Investigating Potential Inhibitory Effect of Uncaria tomentosa (Cat’s Claw) against the Main Protease 3CLpro of SARS-CoV-2 by Molecular Modeling

    Andres F. Yepes-Pérez / Oscar Herrera-Calderon / José-Emilio Sánchez-Aparicio / Laura Tiessler-Sala / Jean-Didier Maréchal / Wilson Cardona-G

    Evidence-Based Complementary and Alternative Medicine, Vol

    2020  Band 2020

    Abstract: COVID-19 is a disease caused by severe acute respiratory syndrome coronavirus 2. Presently, there is no effective treatment for COVID-19. As part of the worldwide efforts to find efficient therapies and preventions, it has been reported the crystalline ... ...

    Abstract COVID-19 is a disease caused by severe acute respiratory syndrome coronavirus 2. Presently, there is no effective treatment for COVID-19. As part of the worldwide efforts to find efficient therapies and preventions, it has been reported the crystalline structure of the SARS-CoV-2 main protease Mpro (also called 3CLpro) bound to a synthetic inhibitor, which represents a major druggable target. The druggability of Mpro could be used for discovering drugs to treat COVID-19. A multilevel computational study was carried out to evaluate the potential antiviral properties of the components of the medicinal herb Uncaria tomentosa (Cat’s claw), focusing on the inhibition of Mpro. The in silico approach starts with protein-ligand docking of 26 Cat’s claw key components, followed by ligand pathway calculations, molecular dynamics simulations, and MM-GBSA calculation of the free energy of binding for the best docked candidates. The structural bioinformatics approaches led to identification of three bioactive compounds of Uncaria tomentosa (speciophylline, cadambine, and proanthocyanidin B2) with potential therapeutic effects by strong interaction with 3CLpro. Additionally, in silico drug-likeness indices for these components were calculated and showed good predicted therapeutic profiles of these phytochemicals. Our findings suggest the potential effectiveness of Cat’s claw as complementary and/or alternative medicine for COVID-19 treatment.
    Schlagwörter Other systems of medicine ; RZ201-999 ; covid19
    Thema/Rubrik (Code) 540
    Sprache Englisch
    Erscheinungsdatum 2020-01-01T00:00:00Z
    Verlag Hindawi Limited
    Dokumenttyp Artikel ; Online
    Datenquelle BASE - Bielefeld Academic Search Engine (Lebenswissenschaftliche Auswahl)

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  8. Artikel: The Hydroalcoholic Extract of

    Yepes-Perez, Andres F / Herrera-Calderón, Oscar / Oliveros, Cristian A / Flórez-Álvarez, Lizdany / Zapata-Cardona, María I / Yepes, Lina / Aguilar-Jimenez, Wbeimar / Rugeles, María T / Zapata, Wildeman

    Evidence-based complementary and alternative medicine : eCAM

    2021  Band 2021, Seite(n) 6679761

    Abstract: The coronavirus disease 2019 (COVID-19) has become a serious problem for public health since it was identified in the province of Wuhan (China) and spread around the world producing high mortality rates and economic losses. Nowadays, the WHO recognizes ... ...

    Abstract The coronavirus disease 2019 (COVID-19) has become a serious problem for public health since it was identified in the province of Wuhan (China) and spread around the world producing high mortality rates and economic losses. Nowadays, the WHO recognizes traditional, complementary, and alternative medicine for treating COVID-19 symptoms. Therefore, we investigated the antiviral potential of the hydroalcoholic extract of
    Sprache Englisch
    Erscheinungsdatum 2021-02-24
    Erscheinungsland United States
    Dokumenttyp Journal Article
    ZDB-ID 2171158-6
    ISSN 1741-4288 ; 1741-427X
    ISSN (online) 1741-4288
    ISSN 1741-427X
    DOI 10.1155/2021/6679761
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  9. Artikel: Investigating Potential Inhibitory Effect of Uncaria tomentosa (Cat's Claw) against the Main Protease 3CLpro of SARS-CoV-2 by Molecular Modeling

    Yepes-Pérez, Andres F. / Herrera-Calderon, Oscar / Sánchez-Aparicio, José-Emilio Tiessler-Sala / Laura, Maréchal Jean-Didier / Cardona-G, Wilson

    Evidence-based Complementary & Alternative Medicine (eCAM)

    Abstract: COVID-19 is a disease caused by severe acute respiratory syndrome coronavirus 2 Presently, there is no effective treatment for COVID-19 As part of the worldwide efforts to find efficient therapies and preventions, it has been reported the crystalline ... ...

    Abstract COVID-19 is a disease caused by severe acute respiratory syndrome coronavirus 2 Presently, there is no effective treatment for COVID-19 As part of the worldwide efforts to find efficient therapies and preventions, it has been reported the crystalline structure of the SARS-CoV-2 main protease Mpro (also called 3CLpro) bound to a synthetic inhibitor, which represents a major druggable target The druggability of Mpro could be used for discovering drugs to treat COVID-19 A multilevel computational study was carried out to evaluate the potential antiviral properties of the components of the medicinal herb Uncaria tomentosa (Cat's claw), focusing on the inhibition of Mpro The in silico approach starts with protein-ligand docking of 26 Cat's claw key components, followed by ligand pathway calculations, molecular dynamics simulations, and MM-GBSA calculation of the free energy of binding for the best docked candidates The structural bioinformatics approaches led to identification of three bioactive compounds of Uncaria tomentosa (speciophylline, cadambine, and proanthocyanidin B2) with potential therapeutic effects by strong interaction with 3CLpro Additionally, in silico drug-likeness indices for these components were calculated and showed good predicted therapeutic profiles of these phytochemicals Our findings suggest the potential effectiveness of Cat's claw as complementary and/or alternative medicine for COVID-19 treatment [ABSTRACT FROM AUTHOR] Copyright of Evidence-based Complementary & Alternative Medicine (eCAM) is the property of Hindawi Limited and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission However, users may print, download, or email articles for individual use This abstract may be abridged No warranty is given about the accuracy of the copy Users should refer to the original published version of the material for the full abstract (Copyright applies to all Abstracts )
    Schlagwörter covid19
    Verlag WHO
    Dokumenttyp Artikel
    Anmerkung WHO #Covidence: #858171
    Datenquelle COVID19

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  10. Artikel: Carvacrol: An

    Herrera-Calderon, Oscar / Yepes-Pérez, Andres F / Quintero-Saumeth, Jorge / Rojas-Armas, Juan Pedro / Palomino-Pacheco, Miriam / Ortiz-Sánchez, José Manuel / Cieza-Macedo, Edwin César / Arroyo-Acevedo, Jorge Luis / Figueroa-Salvador, Linder / Peña-Rojas, Gilmar / Andía-Ayme, Vidalina

    Evidence-based complementary and alternative medicine : eCAM

    2020  Band 2020, Seite(n) 8830665

    Abstract: Carvacrol is a phenol monoterpene found in aromatic plants specially in Lamiaceae family, which has been evaluated in an experimental model of breast cancer. However, any proposed mechanism based on its antitumor effect has not been reported. In our ... ...

    Abstract Carvacrol is a phenol monoterpene found in aromatic plants specially in Lamiaceae family, which has been evaluated in an experimental model of breast cancer. However, any proposed mechanism based on its antitumor effect has not been reported. In our previous study, carvacrol showed a protective effect on 7,12-dimethylbenz[
    Sprache Englisch
    Erscheinungsdatum 2020-10-26
    Erscheinungsland United States
    Dokumenttyp Journal Article
    ZDB-ID 2171158-6
    ISSN 1741-4288 ; 1741-427X
    ISSN (online) 1741-4288
    ISSN 1741-427X
    DOI 10.1155/2020/8830665
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