The discovery and biochemical evaluation of New glycogen synthase kinase 3Ý inhibitors by molecular modeling techniques used in the treatment of diabetes, obesity and cancer / Mohamed Adel Saleh Alghussein ; Supervised Tarek M. K. Motawi , Yasser K. Bustanji , Shohda Elmaraghy
نوع المادة :
نصاللغة: الإنجليزية تفاصيل النشر: Cairo : Mohamed Adel Saleh Alghussein , 2014الوصف: 223 P. : photographs ; 25cmعنوان آخر: - اكتشاف و تقييم كيميائى حيوى لمثبطات جديدة لإلنزيم جليكوجين سينثيز كينيز ٣ بيتا بواسطة أساليب النمذجة الجزيئية لعلاج السكرى و السمنة و السرطان [عنوان مضاف عنوان الصفحة]
- Issued also as CD
| نوع المادة | المكتبة الحالية | المكتبة الرئيسية | رقم الاستدعاء | رقم النسخة | حالة | الباركود | |
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Thesis
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قاعة الرسائل الجامعية - الدور الاول | المكتبة المركزبة الجديدة - جامعة القاهرة | Cai01.08.01.Ph.D.2014.Mo.D (استعراض الرف(يفتح أدناه)) | لا تعار | 01010110064737000 | ||
CD - Rom
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مخـــزن الرســائل الجـــامعية - البدروم | المكتبة المركزبة الجديدة - جامعة القاهرة | Cai01.08.01.Ph.D.2014.Mo.D (استعراض الرف(يفتح أدناه)) | 64737.CD | لا تعار | 01020110064737000 |
Thesis (Ph.D.) - Cairo University - Faculty of Pharmacy - Department of Biochemistry
Naproxen and cromolyn were investigated as new inhibitors of glycogen synthase kinase 3Ý (GSK - 3Ý) in an attempt to explain the mechanisms of their hypoglycemic and anti - cancer properties. The study included molecular modeling; three - dimensional 3D database search query, quantitative structure activities relationship (QSAR) predictions, pharmacophore modeling and simulated docking experiments; in vitro enzyme inhibition assay and in vivo validations. Naproxen and cromolyn structures were captured by pharmacophore Hypo6/3 in 3D database search query. Not only, the two drugs were optimally mapped with pharmacophore Hypo6/3, but also QSAR predictions estimated potent inhibitory GSK - 3Ý bioactivities. Docking simulation show both drugs were found to optimally fit within the binding pocket of GSK-3Ý via several attractive interactions with key amino acids. Docking fitting was compared with pharmacophoric Hypo6/3 mapping. Comparison showed a similarity in the mapping and fitting of naproxen and cromolyn that clarified their interactions with the same amino acids in the two profiles and drug
Issued also as CD
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