Design, Synthesis, QSAR and Molecular Docking of some Polyhydroquinoline Derivatives
| المصدر: | المجلة العربية للنشر العلمي |
|---|---|
| الناشر: | مركز البحث وتطوير الموارد البشرية - رماح |
| المؤلف الرئيسي: | Ali, Ahmed Abaker Ahmed (Author) |
| مؤلفين آخرين: | Osman, Abubaker Mohammed (Co-Author) , Saeed, Ahmed El Sadig Mohammed (Co-Author) |
| المجلد/العدد: | ع40 |
| محكمة: | نعم |
| الدولة: |
الأردن |
| التاريخ الميلادي: |
2022
|
| الشهر: | شباط |
| الصفحات: | 25 - 56 |
| ISSN: |
2663-5798 |
| رقم MD: | 1435972 |
| نوع المحتوى: | بحوث ومقالات |
| اللغة: | الإنجليزية |
| قواعد المعلومات: | EduSearch, HumanIndex |
| مواضيع: | |
| كلمات المؤلف المفتاحية: |
Polyhydroquinolines "PHQs" Derivatives | QSAR Study | Multi-Component Reactions | Molecular Docking
|
| رابط المحتوى: |
| المستخلص: |
In this study, the validation of the model was developed by using the MOO method (leave more out method) in order to obtain a very good model with a higher R2 and a lower RMSE value. The statistical quality of the model was justified by statistical parameters such as the root mean square error (RMSE), correlation coefficient (R), square correlation coefficient (R2), standard error of estimate (S), and (F- test value) or (the ratio between the variances of observed and calculated activities). Also, docking studies of these derivatives and their binding to the protein 4gdb were performed. Based upon molecular modeling and the validation QSAR equation, a group of polyhydroquinoline derivatives were synthesized by the four-component reaction of an aromatic aldehyde, 5, 5-dimethyl-1, 3-cyclohexanedione (dimedone), ethyl acetoacetate, and an appropriate amine for the synthesis. These procedures provide good yields. |
|---|---|
| ISSN: |
2663-5798 |
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