المؤشرات التبولوجية وتحليل QSPR/QSAR لبعض الادوية التي يتم دراستها لعلاج مرضى الزهايمر
DOI:
https://doi.org/10.21123/bsj.2024.10866الكلمات المفتاحية:
كتابة على الاقل 5 كلمات مفتاحية و تظهر حسب التسلسل المذكور للكلمات المفتاحية في اللغة الانكليزية.الملخص
يعد تحليل العلاقات الكمية بين البنية والممتلكات/النشاط (QSPR/QSAR) أمرًا بالغ الأهمية لفهم خصائص المركبات المرتبطة بالمخدرات، خاصة في علاج مرض الزهايمر. في هذه الدراسة، هدفنا هو استخدام أساليب مبتكرة بما في ذلك استخدام المؤشرات الطوبولوجية -درجة و- درجة ، المستمدة من نظرية الرسم البياني، لتقييم الخصائص والخصائص الفيزيائية والكيميائية لخمسة أدوية لمرض الزهايمر: تاكرين، دونيبيزيل، ريفيستيجمين، جالانتامين و والهوبرزين أ . تقدم هذه المؤشرات الطوبولوجية طريقة جديدة لالتقاط المعلومات الهيكلية الجزيئية الأساسية، مما يقلل من عدد الواصفات مع تعزيز ارتباطها بالخصائص الجزيئية المتنوعة. ومن خلال الحسابات الشاملة لهذه المؤشرات، هدفنا هو توضيح الخصائص الجزيئية المعقدة لأدوية مرض الزهايمر. علاوة على ذلك، أجرينا تحليلات QSPR وQSAR لربط المؤشرات الطوبولوجية المحسوبة بالخصائص الفيزيائية والكيميائية المختلفة للأدوية. في حين أن الأساليب المبتكرة المستخدمة في دراستنا توفر رؤى قيمة. لا تساهم النتائج التي توصلنا إليها في تعزيز فهمنا لخصائص أدوية مرض الزهايمر فحسب، بل تحمل أيضًا آثارًا على تطوير الأدوية وتحسينها في إدارة مرض الزهايمر. ومن خلال تعزيز معرفتنا بخصائص هذه المركبات، فإن هدفنا هو معالجة الطبيعة المتعددة العوامل لمرض الزهايمر وتحسين التدخلات العلاجية.
Received 05/02/2024
Revised 27/04/2024
Accepted 29/04/2024
Published Online First 20/07/2024
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