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Podejścia in silico do projektowania kandydatów na leki

Podejścia in silico do projektowania kandydatów na leki

Hamid Maghat / Mohammed Bouachrine / Youness MOUKHLISS

66,79 €
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Editorial:
KS OmniScriptum Publishing
Año de edición:
2026
Materia
Farmacología
ISBN:
9786209639333
66,79 €
IVA incluido
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Odkrywanie i opracowywanie leków jest kosztowną i czasochłonną praktyką, a wspomagane komputerowo metody projektowania leków zyskują na popularności w przemyśle farmaceutycznym, aby przyspieszyć ten proces. Dzięki tym metodom naukowcy mogą skupić się na najlepiej działających związkach, aby zminimalizować trudności związane z testami syntetycznymi i biologicznymi. Na tym właśnie skupia się praca w niniejszej rozprawie, której głównym celem jest zaproponowanie nowych kandydatów na leki na bazie izoksazoli przy użyciu szeregu podejść in silico, takich jak: modelowanie QSAR, ocena właściwości farmakokinetycznych i toksyczności, ocena stabilności kompleksów ligand-receptor, wykrywanie tuneli transportowych ligandów, ocena ich skuteczności biologicznej oraz propozycja dróg syntezy. Uzyskane wyniki stanowią przydatną bazę referencyjną dla badaczy zainteresowanych dziedzinami projektowania leków, bioinformatyki, kinetyki transportu leków i syntezy chemicznej.

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