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  1. Article: Crystal structure, Hirshfeld surface analysis, crystal voids, inter-action energy calculations and energy frameworks and DFT calculations of ethyl 2-cyano-3-(3-hy-droxy-5-methyl-1

    Ait Elmachkouri, Younesse / Irrou, Ezaddine / El Monfalouti, Hanae / Mazzah, Ahmed / Hökelek, Tuncer / Mague, Joel T / Taha, Mohamed Labd / Sebbar, Nada Kheira

    Acta crystallographica. Section E, Crystallographic communications

    2024  Volume 80, Issue Pt 2, Page(s) 240–246

    Abstract: The title compound, ... ...

    Abstract The title compound, C
    Language English
    Publishing date 2024-01-31
    Publishing country England
    Document type Journal Article
    ZDB-ID 2041947-8
    ISSN 2056-9890 ; 1600-5368
    ISSN 2056-9890 ; 1600-5368
    DOI 10.1107/S2056989024000744
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article: Crystal structure, Hirshfeld surface and crystal void analysis, inter-molecular inter-action energies, DFT calculations and energy frameworks of 2

    Irrou, Ezaddine / Ait Elmachkouri, Younesse / Mazzah, Ahmed / Hökelek, Tuncer / Haoudi, Amal / Mague, Joel T / Taha, Mohamed Labd / Sebbar, Nada Kheira

    Acta crystallographica. Section E, Crystallographic communications

    2023  Volume 79, Issue Pt 11, Page(s) 1037–1043

    Abstract: In the title mol-ecule, ... ...

    Abstract In the title mol-ecule, C
    Language English
    Publishing date 2023-10-19
    Publishing country England
    Document type Journal Article
    ZDB-ID 2041947-8
    ISSN 2056-9890 ; 1600-5368
    ISSN 2056-9890 ; 1600-5368
    DOI 10.1107/S205698902300868X
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: Synthesis, crystal structure, spectroscopic characterization, DFT calculations, Hirshfeld surface analysis, molecular docking, and molecular dynamics simulation investigations of novel pyrazolopyranopyrimidine derivatives.

    Ait Elmachkouri, Younesse / Irrou, Ezaddine / Thiruvalluvar, Aravazhi Amalan / Anouar, El Hassane / Varadharajan, Venkatramanan / Ouachtak, Hassan / Mague, Joel T / Sebbar, Nada Kheira / Essassi, El Mokhtar / Labd Taha, Mohamed

    Journal of biomolecular structure & dynamics

    2023  , Page(s) 1–19

    Abstract: A series of new pyrazolopyranopyrimidine derivatives ( ...

    Abstract A series of new pyrazolopyranopyrimidine derivatives (
    Language English
    Publishing date 2023-10-10
    Publishing country England
    Document type Journal Article
    ZDB-ID 49157-3
    ISSN 1538-0254 ; 0739-1102
    ISSN (online) 1538-0254
    ISSN 0739-1102
    DOI 10.1080/07391102.2023.2268187
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Cologne/Königswinter

    Zs.A 2093: Show issues Location:
    Je nach Verfügbarkeit (siehe Angabe bei Bestand)
    bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular
    Jg. 1995 - 2021: Lesesall (1.OG)
    ab Jg. 2022: Lesesaal (EG)

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  4. Article ; Online: Discovery of a new Bcl-2 inhibitor through synthesis, anticancer activity, docking and MD simulations.

    Byadi, Said / Abdoullah, Bimoussa / Fawzi, Mourad / Irrou, Ezaddine / Ait Elmachkouri, Younesse / Oubella, Ali / Auhmani, Aziz / Morjani, Hamid / Labd Taha, Mohamed / Robert, Anthony / Aboulmouhajir, Aziz / Ait Itto, Moulay Youssef

    Journal of biomolecular structure & dynamics

    2023  Volume 42, Issue 8, Page(s) 4145–4154

    Abstract: A database of 300 compounds was virtually screened and docked against Bcl-2 protein; the stability of the best-formed complex was evaluated through Molecular dynamics, the top ten compounds with the ... ...

    Abstract A database of 300 compounds was virtually screened and docked against Bcl-2 protein; the stability of the best-formed complex was evaluated through Molecular dynamics, the top ten compounds with the best
    MeSH term(s) Humans ; Molecular Docking Simulation ; Antineoplastic Agents/pharmacology ; Antineoplastic Agents/chemistry ; Antineoplastic Agents/chemical synthesis ; Molecular Dynamics Simulation ; Proto-Oncogene Proteins c-bcl-2/antagonists & inhibitors ; Proto-Oncogene Proteins c-bcl-2/metabolism ; Proto-Oncogene Proteins c-bcl-2/chemistry ; Cell Line, Tumor ; Cell Proliferation/drug effects ; Structure-Activity Relationship ; Drug Discovery ; Protein Binding
    Chemical Substances Antineoplastic Agents ; Proto-Oncogene Proteins c-bcl-2
    Language English
    Publishing date 2023-05-31
    Publishing country England
    Document type Journal Article
    ZDB-ID 49157-3
    ISSN 1538-0254 ; 0739-1102
    ISSN (online) 1538-0254
    ISSN 0739-1102
    DOI 10.1080/07391102.2023.2218934
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Cologne/Königswinter

    Zs.A 2093: Show issues Location:
    Je nach Verfügbarkeit (siehe Angabe bei Bestand)
    bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular
    Jg. 1995 - 2021: Lesesall (1.OG)
    ab Jg. 2022: Lesesaal (EG)

    Order via subito

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  5. Article: Crystal structure, Hirshfeld surface analysis and inter-action energy calculation of 1-decyl-2,3-di-hydro-1

    Ait Elmachkouri, Younesse / Saber, Asmaa / Irrou, Ezaddine / Amer, Bushra / Mague, Joel T / Hökelek, Tuncer / Labd Taha, Mohamed / Sebbar, Nada Kheira / Essassi, El Mokhtar

    Acta crystallographica. Section E, Crystallographic communications

    2021  Volume 77, Issue Pt 5, Page(s) 559–563

    Abstract: The title mol-ecule, ... ...

    Abstract The title mol-ecule, C
    Language English
    Publishing date 2021-04-27
    Publishing country England
    Document type Journal Article
    ZDB-ID 2041947-8
    ISSN 2056-9890 ; 1600-5368
    ISSN 2056-9890 ; 1600-5368
    DOI 10.1107/S2056989021004291
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article: Crystal structure and Hirshfeld surface analysis study of (

    Sghyar, Riham / Moussaoui, Oussama / Sebbar, Nada Kheira / Ait Elmachkouri, Younesse / Irrou, Ezaddine / Hökelek, Tuncer / Mague, Joel T / Bentama, Abdesslam / El Hadrami, El Mestafa

    Acta crystallographica. Section E, Crystallographic communications

    2021  Volume 77, Issue Pt 9, Page(s) 875–879

    Abstract: The substituted cyclo-penta-dienyl ring in the title mol-ecule, [Fe( ... ...

    Abstract The substituted cyclo-penta-dienyl ring in the title mol-ecule, [Fe(C
    Language English
    Publishing date 2021-08-10
    Publishing country England
    Document type Journal Article
    ZDB-ID 2041947-8
    ISSN 2056-9890 ; 1600-5368
    ISSN 2056-9890 ; 1600-5368
    DOI 10.1107/S2056989021008033
    Database MEDical Literature Analysis and Retrieval System OnLINE

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