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  • Ligan Binding Affinity (Kcal/mol) RSMD Rutin - 12,50 0,00 Katekin - 9,50 0,00 Tilirosida - 12,70 0,00 Kuersetin - 10,80 0,00 Kuersitrin - 9,40 0,00

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    Yusuf Prakoso
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    The document presents the results of molecular docking simulations conducted with LigandScout. Table 1 shows the binding affinity and RMSD values for several ligands that were docked against a target receptor. Rutin and Tilirosida showed the strongest binding affinity at -12.50 and -12.70 kcal/mol, respectively. The document also includes 6 figures showing the pharmacophore models for Rutin, Katekin, Tilirosida, Kuersetin, and Kuersitrin.

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    Hasil liganscout.docx

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    The document presents the results of molecular docking simulations conducted with LigandScout. Table 1 shows the binding affinity and RMSD values for several ligands that were docked against a target receptor. Rutin and Tilirosida showed the strongest binding affinity at -12.50 and -12.70 kcal/mol, respectively. The document also includes 6 figures showing the pharmacophore models for Rutin, Katekin, Tilirosida, Kuersetin, and Kuersitrin.

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    © All Rights Reserved
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    2 views3 pages

    Ligan Binding Affinity (Kcal/mol) RSMD Rutin - 12,50 0,00 Katekin - 9,50 0,00 Tilirosida - 12,70 0,00 Kuersetin - 10,80 0,00 Kuersitrin - 9,40 0,00

    Uploaded by

    Yusuf Prakoso
    The document presents the results of molecular docking simulations conducted with LigandScout. Table 1 shows the binding affinity and RMSD values for several ligands that were docked against a target receptor. Rutin and Tilirosida showed the strongest binding affinity at -12.50 and -12.70 kcal/mol, respectively. The document also includes 6 figures showing the pharmacophore models for Rutin, Katekin, Tilirosida, Kuersetin, and Kuersitrin.

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    © All Rights Reserved
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    Tabel 1 Hasil Docking dengan Liganscout

    Ligan Binding Affinity (Kcal/mol) Rsmd


    Rutin -12,50 0,00
    Katekin -9,50 0,00
    Tilirosida -12,70 0,00
    Kuersetin -10,80 0,00
    Kuersitrin -9,40 0,00

    Gambar 1 Kurva ROC

    Gambar 2 Farmakofor Rutin


    Gambar 3 Farmakofor Katekin

    Gambar 4 Farmakofor Tilirosida

    Gambar 5 Farmakofor Kuersetin


    Gambar 6 Farmakofor Kuersitrin

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