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Ukierunkowanie na raka piersi

Ukierunkowanie na raka piersi

Abdelouahid Sbai / Etibaria Belghalia / Mohammed Bouachrine

91,04 €
IVA incluido
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Editorial:
KS OmniScriptum Publishing
Año de edición:
2025
Materia
Química
ISBN:
9786202341738
91,04 €
IVA incluido
Disponible

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Niniejsza książka bada wkład metod obliczeniowych w poszukiwanie ukierunkowanych terapii raka piersi. Skupia się ona na trzech kluczowych receptorach: receptorze estrogenowym alfa (ERα), receptorze ludzkiego naskórkowego czynnika wzrostu 2 (HER2) i receptorze naskórkowego czynnika wzrostu (EGFR). Dwie rodziny związków chemicznych, pochodne pirazolobenzimidazolu i analogi baloksawiru, zostały ocenione za pomocą modelowania QSAR, dokowania molekularnego, przewidywań ADMET i symulacji dynamiki molekularnej. W pierwszym badaniu zidentyfikowano dwa związki o silnym powinowactwie wiązania i korzystnych właściwościach farmakokinetycznych. Drugie ujawniło kilka pochodnych baloksawiru o obiecującej aktywności wielocelowej, w tym jeden związek wiodący wykazujący stabilne interakcje ze wszystkimi trzema receptorami. Wyniki te podkreślają potencjał technik in silico we wczesnym etapie odkrywania leków i stanowią podstawę do dalszej walidacji biologicznej, wspierając rozwój bardziej skutecznych i spersonalizowanych metod leczenia raka piersi.

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