استكشاف المركبات النشطة بيولوجيًا المحتملة من Fingerroot (Boesenbergia rotunda L.) كمثبط للبروتينات المرتبطة بتصلب الشرايين (CETP، ACAT1، OSC، (sPLA2: دراسة في السيليكون
DOI:
https://doi.org/10.35516/jjps.v16i3.1609الكلمات المفتاحية:
ACAT1، تصلب الشرايين، CETP، الالتحام الجزيئي، OSC، sPLA2eالملخص
يُعرف Boesenbergia rotunda L. (fingerroot) بأنه أحد النباتات الطبية الإندونيسية ذات الفاعلية الكبيرة في علاج الأمراض المختلفة، بما في ذلك تصلب الشرايين. تهدف هذه الدراسة إلى تحليل الفعالية المضادة لتصلب الشرايين للمركبات النشطة بيولوجيًا في جذور الأصابع من خلال تثبيط أربعة بروتينات مرتبطة بتصلب الشرايين (CETP و ACAT1 و OSC و sPLA2). المركبات النشطة بيولوجيًا من B. rotunda المسترجعة من قاعدة بيانات KnapSack، تم التنبؤ بخاصية تشابه الدواء باستخدام خادم الويب SwissADME، وتوقع النشاط الحيوي للمركب باستخدام خادم PASSOnline. تم إجراء تنبؤ الموقع النشط والتحقق من صحة البروتينات باستخدام خادم الويب SCFBio و Autodock Vina. تم إجراء الالتحام المحدد بين مركبات الإصبع والبروتينات بواسطة AutoDock Vina. Fingerroot يحتوي على 20 مركبًا حيويًا مع خصائص دوائية قوية. علاوة على ذلك، dihydrochrysin، sakuranetin، isopimaric acid، 2S-pinocembrin، 5،7-dihydroxy-8-C-geranylflavanone، 7،4'-dihydroxy-5-methoxyflavanone، dan 5،7-dihydroxy-8، و 7-methoxy- من المتوقع أن يمتلك 5-hydroxy-8-geranylflavanone أنشطة مضادة لتصلب الشرايين. كان للروبرانين و (-) - 4-هيدروكسي باندوراتين A أقل درجة تقارب ملزمة مع CETP. اثنان من المركبات ذات أقل تقارب ارتباط في التفاعل مع ACAT1 و OSC و sPLA2 هما الروبرانين و 5،7-ثنائي هيدروكسي-8-سي-جيرانيل فلافانون. يمكن الاستنتاج أن جذر الإصبع لديه إمكانات عالية كعامل مضاد لتصلب الشرايين من خلال تثبيط 4 بروتينات مرتبطة بتصلب الشرايين على أساس نهج السيليكو
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