التوليف والتوصيف والالتحام الجزيئي وتنبؤ ADMET والنشاط المضاد للالتهابات لبعض قواعد شيف المشتقة من الساليسيل ألدهيد كإمكانات محتمل لانزيم الأكسدة الحلقية
محتوى المقالة الرئيسي
الملخص
تم تصميم سلسلة من مركبات مجموعة الساليسيل ألدهيد الحاملة لقاعدة شيف (1-4) ، وتوليفها ، وتعريضها لتنبؤ Insilco ADMET ، والالتحام الجزيئي ، والتوصيف بواسطة تقنيات تحليل FT-IR ، و CHNS ، وأخيراً إلى ملفها المضاد للالتهابات باستخدام طرق فحص مثبطات إنزيمات الأكسدة الحلقية الفلورية جنبًا إلى جنب مع الأدوية القياسية ، والسيليكوكسيب ، والديكلوفيناك. تم استخدام نتائج دراسات ADMET للتنبؤ بالمركبات التي ستكون مناسبة للإعطاء عن طريق الفم ، بالإضافة إلى مواقع الامتصاص ، والتوافر البيولوجي ، و TPSA ، ومثال العقاقير. وفقًا لبيانات ADME ، يمكن امتصاص جميع المواد الكيميائية المنتجة من خلال الجهاز الهضمي. من خلال الالتحام الجزيئي باستخدام PyRx 0.8 ، تم اختبار هذه المركبات المركبة في المختبر لفعاليتها المضادة للالتهابات وانتقائية Insilco تجاه COX-1 و COX-2. أظهر الاختبار في المختبر أن جميع المركبات المنتجة كان لها نشاط أقوى بكثير ضد إنزيم COX-2 من COX-1. وبنائا على ذلك، أظهر المركب 1 النشاط المثبط الأكثر فاعلية مع قيمة IC50 0.19 ميكرومتر مقارنة بالعقار القياسي celecoxib (IC50 = 0.29 ميكرومتر). تم توجيه المركب المشتق الأكثر نشاطًا نحو الموقع النشط واحتلال الإنزيم المستهدف بناءً على تحقيق الالتحام ضد COX-1 و COX-2. بالإضافة إلى ذلك ، وجدت التحقيقات في السيليكو أن COX-2 له نشاط تثبيط أعلى من COX-1
Received 10/5/2022
Revised 13/8/2022
Accepted 15/8/2022
Published Online First 20/2/2023
تفاصيل المقالة
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كيفية الاقتباس
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