SLNSW-Computational investigation of pyrrolidin derivat...-TN_cdi_proquest_journals_2667456919

Computational investigation of pyrrolidin derivatives as novel GPX4/MDM2–p53 inhibitors using 2D/3D-QSAR, ADME/toxicity, molecular docking, molecular dynamics simulations, and MM-GBSA free energy

Full title: Computational investigation of pyrrolidin derivatives as novel GPX4/MDM2–p53 inhibitors using 2D/3D-QSAR, ADME/toxicity, molecular docking, molecular dynamics simulations, and MM-GBSA free energy

Author/creator: Tabti, Kamal, Baammi, Soukayna, ElMchichi, Larbi, Sbai, Abdelouahid, Maghat, Hamid, Bouachrine, Mohammed, Lakhlifi, Tahar.

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Record Identifier: TN_cdi_proquest_journals_2667456919

Language: English

Formats: Articles

Publishers: New York: Springer US

Permalink: https://collection.sl.nsw.gov.au/record/TN_cdi_proquest_journals_2667456919

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    Record title

    Computational investigation of pyrrolidin derivatives as novel GPX4/MDM2–p53 inhibitors using 2D/3D-QSAR, ADME/toxicity, molecular docking, molecular dynamics simulations, and MM-GBSA free energy

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    TN_cdi_proquest_journals_2667456919

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    https://collection.sl.nsw.gov.au/record/TN_cdi_proquest_journals_2667456919

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    Computational investigation of pyrrolidin derivatives as novel GPX4/MDM2–p53 inhibitors using 2D/3D-QSAR, ADME/toxicity, molecular docking, molecular dynamics simulations, and MM-GBSA free energy

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    https://collection.sl.nsw.gov.au/record/TN_cdi_proquest_journals_2667456919

    Computational investigation of pyrrolidin derivatives as novel GPX4/MDM2–p53 inhibitors using 2D/3D-QSAR, ADME/toxicity, molecular docking, molecular dynamics simulations, and MM-GBSA free energy

    Full title

    Computational investigation of pyrrolidin derivatives as novel GPX4/MDM2–p53 inhibitors using 2D/3D-QSAR, ADME/toxicity, molecular docking, molecular dynamics simulations, and MM-GBSA free energy

    Author / Creator

    Tabti, Kamal ; Baammi, Soukayna ; ElMchichi, Larbi ; Sbai, Abdelouahid ; Maghat, Hamid ; Bouachrine, Mohammed ; Lakhlifi, Tahar

    Publisher

    New York: Springer US

    Journal title

    Structural chemistry, 2022, Vol.33 (4), p.1019-1039

    Record Identifier

    TN_cdi_proquest_journals_2667456919

    Language

    English

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    Apoptosis Binding energy Binding sites Bioavailability Cell cycle Chemistry Chemistry and Materials Science Computer Applications in Chemistry Datasets Force and energy Free energy Investigations Molecular docking Molecular dynamics Original Research Physical Chemistry Predictions Proteins Receptors Simulation Stability analysis Theoretical and Computational Chemistry Toxicity Tumor proteins

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    TN_cdi_proquest_journals_2667456919

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    https://collection.sl.nsw.gov.au/record/TN_cdi_proquest_journals_2667456919

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