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  1. AU="Amparo, Tatiane R."
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  1. Article: In silico approach of secondary metabolites from Brazilian herbal medicines to search for potential drugs against SARS‐CoV‐2

    Amparo, Tatiane R. / Seibert, Janaína B. / Almeida, Tamires C. / Costa, Fernanda S. F. / Silveira, Benila M. / da Silva, Glenda N. / dos Santos, Orlando D. H. / de Souza, Gustavo H. B.

    Phytotherapy research. 2021 Aug., v. 35, no. 8

    2021  

    Abstract: The new severe acute respiratory syndrome coronavirus (SARS‐CoV‐2) recently emerged as a worrying pandemic, with many confirmed cases and deaths globally. Therefore, there is a clear need for identifying effective therapeutic options and a review of ... ...

    Abstract The new severe acute respiratory syndrome coronavirus (SARS‐CoV‐2) recently emerged as a worrying pandemic, with many confirmed cases and deaths globally. Therefore, there is a clear need for identifying effective therapeutic options and a review of secondary metabolites related to Brazilian herbal medicines was performed as a strategy for the discovery of new antiviral agents. To confirm this potential, an in silico screening of the identified compounds identified was also evaluated. The review was performed by the PubMed database and the selected natural compounds were subjected to in silico analysis such as QSAR, molecular docking and ADMET. 497 secondary metabolites were identified from 23 species. The in silico assays indicated 19 potential anti‐SARS‐CoV‐2 compounds, being triterpenes and phenolic compounds. The indicated compounds showed a high affinity with proteins considered as the main molecular targets against SARS‐CoV‐2 and parameters indicated low toxicity. In addition to Brazilian medicinal plants, these compounds can be found in other species and they can be a base for the synthesis of other anti‐COVID‐19 drugs. Therefore, this review is important to conduct researches that address the emerging need for drugs in COVID‐19 treatment.
    Keywords COVID-19 infection ; Severe acute respiratory syndrome coronavirus ; Severe acute respiratory syndrome coronavirus 2 ; computer simulation ; databases ; pandemic ; phytotherapy ; research ; secondary metabolites ; toxicity ; triterpenoids
    Language English
    Dates of publication 2021-08
    Size p. 4297-4308.
    Publishing place John Wiley & Sons, Ltd.
    Document type Article
    Note REVIEW
    ZDB-ID 639136-9
    ISSN 1099-1573 ; 0951-418X
    ISSN (online) 1099-1573
    ISSN 0951-418X
    DOI 10.1002/ptr.7097
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    Zs.B 3092: Show issues Location:
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  2. Article ; Online: In silico approach of secondary metabolites from Brazilian herbal medicines to search for potential drugs against SARS-CoV-2.

    Amparo, Tatiane R / Seibert, Janaína B / Almeida, Tamires C / Costa, Fernanda S F / Silveira, Benila M / da Silva, Glenda N / Dos Santos, Orlando D H / de Souza, Gustavo H B

    Phytotherapy research : PTR

    2021  Volume 35, Issue 8, Page(s) 4297–4308

    Abstract: The new severe acute respiratory syndrome coronavirus (SARS-CoV-2) recently emerged as a worrying pandemic, with many confirmed cases and deaths globally. Therefore, there is a clear need for identifying effective therapeutic options and a review of ... ...

    Abstract The new severe acute respiratory syndrome coronavirus (SARS-CoV-2) recently emerged as a worrying pandemic, with many confirmed cases and deaths globally. Therefore, there is a clear need for identifying effective therapeutic options and a review of secondary metabolites related to Brazilian herbal medicines was performed as a strategy for the discovery of new antiviral agents. To confirm this potential, an in silico screening of the identified compounds identified was also evaluated. The review was performed by the PubMed database and the selected natural compounds were subjected to in silico analysis such as QSAR, molecular docking and ADMET. 497 secondary metabolites were identified from 23 species. The in silico assays indicated 19 potential anti-SARS-CoV-2 compounds, being triterpenes and phenolic compounds. The indicated compounds showed a high affinity with proteins considered as the main molecular targets against SARS-CoV-2 and parameters indicated low toxicity. In addition to Brazilian medicinal plants, these compounds can be found in other species and they can be a base for the synthesis of other anti-COVID-19 drugs. Therefore, this review is important to conduct researches that address the emerging need for drugs in COVID-19 treatment.
    MeSH term(s) Antiviral Agents/pharmacology ; COVID-19/drug therapy ; Humans ; Molecular Docking Simulation ; Phytochemicals/pharmacology ; Plant Preparations/pharmacology ; Plants, Medicinal/chemistry ; SARS-CoV-2/drug effects
    Chemical Substances Antiviral Agents ; Phytochemicals ; Plant Preparations
    Language English
    Publishing date 2021-04-01
    Publishing country England
    Document type Journal Article ; Review
    ZDB-ID 639136-9
    ISSN 1099-1573 ; 0951-418X
    ISSN (online) 1099-1573
    ISSN 0951-418X
    DOI 10.1002/ptr.7097
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article: Melaleuca leucadendra Essential Oil Promotes Loss of Cell Membrane and Wall Integrity and Inhibits Bacterial Growth: An In Silico and In Vitro Approach

    Bautista-Silva, Jessica P / Seibert, Janaína B / Amparo, Tatiane R / Rodrigues, Ivanildes V / Teixeira, Luiz Fernando M / Souza, Gustavo Henrique B / dos Santos, Orlando D. H

    Current microbiology. 2020 Sept., v. 77, no. 9

    2020  

    Abstract: Essential oils are potential antimicrobial agents and can be used as active ingredients in the pharmaceutical, food and cosmetics industries. This work intends to evaluate the antibacterial activity and design a strategy for the proposition of the ... ...

    Abstract Essential oils are potential antimicrobial agents and can be used as active ingredients in the pharmaceutical, food and cosmetics industries. This work intends to evaluate the antibacterial activity and design a strategy for the proposition of the mechanism of action of Melaleuca leucadendra essential oil. Optimum concentration of the bacteria and the phase where they had the highest pathogenic activity were determined. Results show that for each microorganism it is necessary to use a different concentration at the time of adjusting the initial inoculum, and that the time to achieve exponential growth phase varies from one to the other. M. leucadendra essential oil demonstrated in vitro antimicrobial properties. This oil was chemically characterized and the main compounds were evaluated by their mechanism of antibacterial action based on structure–activity analysis. The mechanism is related to the increase of bacteria cell membrane permeability. This indication was confirmed by flow cytometry and transmission electronic microscopy. Thus, in silico analysis is an important tool in the search for new antimicrobial agents and these results showed that M. leucadendra essential oil may be useful on the development of new chemotherapies or food preservation systems.
    Keywords Melaleuca leucadendra ; antibacterial properties ; bacterial growth ; cell membranes ; computer simulation ; cosmetics ; essential oils ; flow cytometry ; food preservation ; inoculum ; mechanism of action ; membrane permeability ; oils ; transmission electron microscopy
    Language English
    Dates of publication 2020-09
    Size p. 2181-2191.
    Publishing place Springer US
    Document type Article
    ZDB-ID 134238-1
    ISSN 1432-0991 ; 0343-8651
    ISSN (online) 1432-0991
    ISSN 0343-8651
    DOI 10.1007/s00284-020-02024-0
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  4. Article ; Online: Melaleuca leucadendra Essential Oil Promotes Loss of Cell Membrane and Wall Integrity and Inhibits Bacterial Growth: An In Silico and In Vitro Approach.

    Bautista-Silva, Jessica P / Seibert, Janaína B / Amparo, Tatiane R / Rodrigues, Ivanildes V / Teixeira, Luiz Fernando M / Souza, Gustavo Henrique B / Dos Santos, Orlando D H

    Current microbiology

    2020  Volume 77, Issue 9, Page(s) 2181–2191

    Abstract: Essential oils are potential antimicrobial agents and can be used as active ingredients in the pharmaceutical, food and cosmetics industries. This work intends to evaluate the antibacterial activity and design a strategy for the proposition of the ... ...

    Abstract Essential oils are potential antimicrobial agents and can be used as active ingredients in the pharmaceutical, food and cosmetics industries. This work intends to evaluate the antibacterial activity and design a strategy for the proposition of the mechanism of action of Melaleuca leucadendra essential oil. Optimum concentration of the bacteria and the phase where they had the highest pathogenic activity were determined. Results show that for each microorganism it is necessary to use a different concentration at the time of adjusting the initial inoculum, and that the time to achieve exponential growth phase varies from one to the other. M. leucadendra essential oil demonstrated in vitro antimicrobial properties. This oil was chemically characterized and the main compounds were evaluated by their mechanism of antibacterial action based on structure-activity analysis. The mechanism is related to the increase of bacteria cell membrane permeability. This indication was confirmed by flow cytometry and transmission electronic microscopy. Thus, in silico analysis is an important tool in the search for new antimicrobial agents and these results showed that M. leucadendra essential oil may be useful on the development of new chemotherapies or food preservation systems.
    MeSH term(s) Anti-Bacterial Agents/pharmacology ; Anti-Infective Agents ; Cell Membrane ; Computer Simulation ; Melaleuca ; Microbial Sensitivity Tests ; Oils, Volatile/pharmacology
    Chemical Substances Anti-Bacterial Agents ; Anti-Infective Agents ; Oils, Volatile
    Language English
    Publishing date 2020-05-22
    Publishing country United States
    Document type Journal Article
    ZDB-ID 134238-1
    ISSN 1432-0991 ; 0343-8651
    ISSN (online) 1432-0991
    ISSN 0343-8651
    DOI 10.1007/s00284-020-02024-0
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Cologne/Königswinter

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  5. Article ; Online: Preparation of glass-ionomer cement containing ethanolic Brazilian pepper extract (Schinus terebinthifolius Raddi) fruits: chemical and biological assays.

    Pinto, Isabelle C / Seibert, Janaína B / Pinto, Luciano S / Santos, Vagner R / de Sousa, Rafaela F / Sousa, Lucas R D / Amparo, Tatiane R / Dos Santos, Viviane M R / do Nascimento, Andrea M / de Souza, Gustavo Henrique Bianco / Vasconcellos, Walisson A / Vieira, Paula M A / Andrade, Ângela L

    Scientific reports

    2020  Volume 10, Issue 1, Page(s) 22312

    Abstract: Plants may contain beneficial or potentially dangerous substances to humans. This study aimed to prepare and evaluate a new drug delivery system based on a glass-ionomer-Brazilian pepper extract composite, to check for its activity against pathogenic ... ...

    Abstract Plants may contain beneficial or potentially dangerous substances to humans. This study aimed to prepare and evaluate a new drug delivery system based on a glass-ionomer-Brazilian pepper extract composite, to check for its activity against pathogenic microorganisms of the oral cavity, along with its in vitro biocompatibility. The ethanolic Brazilian pepper extract (BPE), the glass-ionomer cement (GIC) and the composite GIC-BPE were characterized by scanning electron microscopy, attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR), and thermal analysis. The BPE compounds were identified by UPLC-QTOF-MS/MS. The release profile of flavonoids and the mechanical properties of the GIC-BPE composite were assessed. The flavonoids were released through a linear mechanism governing the diffusion for the first 48 h, as evidenced by the M
    MeSH term(s) Anacardiaceae/chemistry ; Biocompatible Materials/chemistry ; Biocompatible Materials/pharmacology ; Brazil ; Compressive Strength ; Fruit/chemistry ; Glass Ionomer Cements/chemical synthesis ; Glass Ionomer Cements/chemistry ; Glass Ionomer Cements/pharmacology ; Humans ; Materials Testing ; Microscopy, Electron, Scanning ; Mouth/chemistry ; Mouth/drug effects ; Mouth/microbiology ; Plant Extracts/chemistry ; Plant Extracts/pharmacology ; Spectroscopy, Fourier Transform Infrared
    Chemical Substances Biocompatible Materials ; Glass Ionomer Cements ; Plant Extracts
    Language English
    Publishing date 2020-12-18
    Publishing country England
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 2615211-3
    ISSN 2045-2322 ; 2045-2322
    ISSN (online) 2045-2322
    ISSN 2045-2322
    DOI 10.1038/s41598-020-79257-3
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article ; Online: Nanostructured Systems Improve the Antimicrobial Potential of the Essential Oil from

    Seibert, Janaína B / Viegas, Juliana S R / Almeida, Tamires C / Amparo, Tatiane R / Rodrigues, Ivanildes V / Lanza, Juliane S / Frézard, Frédéric J G / Soares, Rodrigo D O A / Teixeira, Luiz Fernando M / de Souza, Gustavo H B / Vieira, Paula M A / Barichello, José M / Dos Santos, Orlando D H

    Journal of natural products

    2019  Volume 82, Issue 12, Page(s) 3208–3220

    Abstract: The physicochemical characteristics of nanostructured suspensions are important prerequisites for the success of new drug development. This work aimed to develop nanometric systems ... ...

    Abstract The physicochemical characteristics of nanostructured suspensions are important prerequisites for the success of new drug development. This work aimed to develop nanometric systems containing
    MeSH term(s) Animals ; Anti-Infective Agents/chemistry ; Anti-Infective Agents/pharmacology ; Bacteria/drug effects ; Cell Line ; Cell Membrane Permeability/drug effects ; Cymbopogon/chemistry ; Drug Screening Assays, Antitumor ; Fungi/drug effects ; Gas Chromatography-Mass Spectrometry ; Hydrogen-Ion Concentration ; Mice ; Microbial Sensitivity Tests ; Microscopy, Electron, Transmission ; Nanostructures ; Oils, Volatile/chemistry ; Oils, Volatile/pharmacology ; Particle Size ; Plant Leaves/chemistry ; Quantitative Structure-Activity Relationship
    Chemical Substances Anti-Infective Agents ; Oils, Volatile
    Language English
    Publishing date 2019-12-09
    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.8b00870
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    Zs.A 1144: Show issues Location:
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  7. Article: Nanostructured Systems Improve the Antimicrobial Potential of the Essential Oil from Cymbopogon densiflorus Leaves

    Seibert, Janaína B / Viegas, Juliana S. R / Almeida, Tamires C / Amparo, Tatiane R / Rodrigues, Ivanildes V / Lanza, Juliane S / Frézard, Frédéric J. G / Soares, Rodrigo D. O. A / Teixeira, Luiz Fernando M / de Souza, Gustavo H. B / Vieira, Paula M. A / Barichello, José M / dos Santos, Orlando D. H

    Journal of natural products. 2019 Dec. 09, v. 82, no. 12

    2019  

    Abstract: The physicochemical characteristics of nanostructured suspensions are important prerequisites for the success of new drug development. This work aimed to develop nanometric systems containing Cymbopogon densiflorus leaf essential oil and to evaluate ... ...

    Abstract The physicochemical characteristics of nanostructured suspensions are important prerequisites for the success of new drug development. This work aimed to develop nanometric systems containing Cymbopogon densiflorus leaf essential oil and to evaluate their antimicrobial activity. The essential oil was isolated by hydrodistillation from leaves and analyzed by GC-MS. The main constituents were found to be trans-p-mentha-2,8-dien-1-ol, cis-p-mentha-2,8-dien-1-ol, trans-p-mentha-1(7),8-dien-2-ol, cis-piperitol, and cis-p-mentha-1(7),8-dien-2-ol. In silico prediction analysis suggested that this oil possesses antimicrobial potential and the main mechanism of action might be the peptidoglycan glycosyltransferase inhibition. Nanoemulsions were prepared by the phase inversion method, and liposomes were made by the film hydration method. Qualitative evaluation of the antimicrobial activity was performed by the diffusion disk assay with 24 microorganisms; all of them were found to be sensitive to the essential oil. Subsequently, this property was quantified by the serial microdilution technique, where the nanoformulations demonstrated improved activity in comparison with the free oil. Bactericidal action was tested by the propidium iodide method, which revealed that free essential oil and nanoemulsion increased cytoplasmic membrane permeability, while no difference was observed between negative control and liposome. These results were confirmed by images obtained using transmission electron microscopy. This study has shown an optimization in the antimicrobial activity of C. densiflorus essential oil by a nanoemulsion and a liposomal formulation of the active substances.
    Keywords Cymbopogon ; active ingredients ; antimicrobial properties ; cell membranes ; drug development ; enzyme inhibition ; essential oils ; gas chromatography-mass spectrometry ; hydrodistillation ; leaves ; mechanism of action ; membrane permeability ; microorganisms ; nanoemulsions ; oils ; peptidoglycans ; physicochemical properties ; prediction ; propidium ; transferases ; transmission electron microscopy
    Language English
    Dates of publication 2019-1209
    Size p. 3208-3220.
    Publishing place American Chemical Society and American Society of Pharmacognosy
    Document type Article
    ZDB-ID 304325-3
    ISSN 1520-6025 ; 0163-3864
    ISSN (online) 1520-6025
    ISSN 0163-3864
    DOI 10.1021/acs.jnatprod.8b00870
    Database NAL-Catalogue (AGRICOLA)

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