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  1. Article ; Online: Role of the base Cs

    Velásquez, Carlos A / Torres, Ana E / Gómez-Pech, Cecilia / Ávila-Zárraga, José Gustavo / Colmenares, Fernando

    Journal of molecular modeling

    2021  Volume 27, Issue 1, Page(s) 9

    Abstract: Reactions for the palladium-catalyzed intramolecular cyclization of the o-bromoindole and the o-bromo-N-methyl-indole derivatives in the presence and absence of base ( ... ...

    Abstract Reactions for the palladium-catalyzed intramolecular cyclization of the o-bromoindole and the o-bromo-N-methyl-indole derivatives in the presence and absence of base (Cs
    Language English
    Publishing date 2021-01-03
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 1284729-X
    ISSN 0948-5023 ; 1610-2940
    ISSN (online) 0948-5023
    ISSN 1610-2940
    DOI 10.1007/s00894-020-04638-4
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: Synthesis, molecular docking, and in silico ADME/Tox profiling studies of new 1-aryl-5-(3-azidopropyl)indol-4-ones: Potential inhibitors of SARS CoV-2 main protease.

    Domínguez-Villa, Francisco Xavier / Durán-Iturbide, Noemi Angeles / Ávila-Zárraga, José Gustavo

    Bioorganic chemistry

    2020  Volume 106, Page(s) 104497

    Abstract: The virus SARS CoV-2, which causes the respiratory infection COVID-19, continues its spread across the world and to date has caused more than a million deaths. Although COVID-19 vaccine development appears to be progressing rapidly, scientists continue ... ...

    Abstract The virus SARS CoV-2, which causes the respiratory infection COVID-19, continues its spread across the world and to date has caused more than a million deaths. Although COVID-19 vaccine development appears to be progressing rapidly, scientists continue the search for different therapeutic options to treat this new illness. In this work, we synthesized five new 1-aryl-5-(3-azidopropyl)indol-4-ones and showed them to be potential inhibitors of the SARS CoV-2 main protease (3CLpro). The compounds were obtained in good overall yields and molecular docking indicated favorable binding with 3CLpro. In silico ADME/Tox profile of the new compounds were calculated using the SwissADME and pkCSM-pharmacokinetics web tools, and indicated adequate values of absorption, distribution and excretion, features related to bioavailability. Moreover, low values of toxicity were indicated for these compounds. And drug-likeness levels of the compounds were also predicted according to the Lipinski and Veber rules.
    MeSH term(s) Antiviral Agents/chemical synthesis ; Antiviral Agents/metabolism ; Antiviral Agents/pharmacokinetics ; Azides/chemical synthesis ; Azides/metabolism ; Azides/pharmacokinetics ; Catalytic Domain ; Coronavirus 3C Proteases/antagonists & inhibitors ; Coronavirus 3C Proteases/chemistry ; Coronavirus 3C Proteases/metabolism ; Cysteine Proteinase Inhibitors/chemical synthesis ; Cysteine Proteinase Inhibitors/metabolism ; Cysteine Proteinase Inhibitors/pharmacokinetics ; Indoles/chemical synthesis ; Indoles/metabolism ; Indoles/pharmacokinetics ; Internet ; Molecular Docking Simulation ; Protein Binding ; SARS-CoV-2/chemistry
    Chemical Substances Antiviral Agents ; Azides ; Cysteine Proteinase Inhibitors ; Indoles ; 3C-like proteinase, SARS-CoV-2 (EC 3.4.22.-) ; Coronavirus 3C Proteases (EC 3.4.22.28)
    Language English
    Publishing date 2020-11-24
    Publishing country United States
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 120080-x
    ISSN 1090-2120 ; 0045-2068
    ISSN (online) 1090-2120
    ISSN 0045-2068
    DOI 10.1016/j.bioorg.2020.104497
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Cologne/Königswinter

    Zs.A 4207: Show issues Location:
    Je nach Verfügbarkeit (siehe Angabe bei Bestand)
    bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular
    Jg. 1995 - 2021: Lesesall (2.OG)
    ab Jg. 2022: Lesesaal (EG)

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  3. Article: Synthesis of novel furo, thieno, and benzazetoazepines and evaluation of their cytotoxicity.

    Martínez, L Roberto / Avila Zarraga, Jose Gustavo / Duran, Ma Esther / Ramírez Apam, Ma Teresa / Cañas, Roberto

    Bioorganic & medicinal chemistry letters

    2002  Volume 12, Issue 12, Page(s) 1675–1677

    Abstract: We report the regio- and stereoselective synthesis of a novel cis-C(3)N-C(4)X-C(6)N series (X=O, S, and C(2)) from cyclic ketones. The cytotoxic activity of the new compounds was studied in five cell lines; the observed activities were in accordance with ...

    Abstract We report the regio- and stereoselective synthesis of a novel cis-C(3)N-C(4)X-C(6)N series (X=O, S, and C(2)) from cyclic ketones. The cytotoxic activity of the new compounds was studied in five cell lines; the observed activities were in accordance with the concept of bioisosteric replacement.
    MeSH term(s) Antineoplastic Agents/chemical synthesis ; Antineoplastic Agents/pharmacology ; Azepines/chemical synthesis ; Azepines/pharmacology ; Tumor Cells, Cultured
    Chemical Substances Antineoplastic Agents ; Azepines
    Language English
    Publishing date 2002-06-17
    Publishing country England
    Document type Evaluation Studies ; Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 1063195-1
    ISSN 1464-3405 ; 0960-894X
    ISSN (online) 1464-3405
    ISSN 0960-894X
    DOI 10.1016/s0960-894x(02)00232-9
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Cologne/Königswinter

    Zs.A 3203: Show issues Location:
    Je nach Verfügbarkeit (siehe Angabe bei Bestand)
    bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular
    Jg. 1995 - 2021: Lesesall (2.OG)
    ab Jg. 2022: Lesesaal (EG)

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  4. Article: Facile Synthesis of Thiolacetates from Trichloromethyl Compounds

    Romero-Ortega, Moisés / Reyes, Horacio / Covarruvias-Zuñiga, Adrián / Cruz, Raymundo / Avila-Zarraga, José Gustavo

    Synthesis

    2003  Volume 2003, Issue 18, Page(s) 2765–2767

    Abstract: A new method for the conversion of trichloromethyl compounds into the corresponding thiolacetates by treatment with sodium thiolacetate in the presence of thiolacetic acid is described. This transformation proceeds at room temperature in high yield when ... ...

    Abstract A new method for the conversion of trichloromethyl compounds into the corresponding thiolacetates by treatment with sodium thiolacetate in the presence of thiolacetic acid is described. This transformation proceeds at room temperature in high yield when a strong electron-withdrawing substituent is attached to the trichloromethyl group.
    Keywords trichloromethyl compounds ; thiolacetic acid ; sodium thiolacetate ; thiolacetate derivatives ; nucleophilic substitution
    Language English
    Publishing date 2003-11-04
    Publishing place Stuttgart ; New York
    Document type Article
    ZDB-ID 2033062-5
    ISSN 1437-210X ; 0039-7881
    ISSN (online) 1437-210X
    ISSN 0039-7881
    DOI 10.1055/s-2003-42463
    Database Thieme publisher's database

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