LEADER |
02329nam a2200253 4500 |
001 |
2182902 |
041 |
|
|
|a eng
|
044 |
|
|
|b الأردن
|
100 |
|
|
|9 759774
|a Ali, Ahmed Abaker Ahmed
|e Author
|
245 |
|
|
|a Design, Synthesis, QSAR and Molecular Docking of some Polyhydroquinoline Derivatives
|
260 |
|
|
|b مركز البحث وتطوير الموارد البشرية - رماح
|c 2022
|g شباط
|
300 |
|
|
|a 25 - 56
|
336 |
|
|
|a بحوث ومقالات
|b Article
|
520 |
|
|
|b 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.
|
653 |
|
|
|a المركبات الكيميائية
|a مشتقات البوليهدروكينولين
|a الالتحام الجزيئي
|a الأنشطة البيولوجية
|
692 |
|
|
|b Polyhydroquinolines "PHQs" Derivatives
|b QSAR Study
|b Multi-Component Reactions
|b Molecular Docking
|
700 |
|
|
|9 759781
|a Osman, Abubaker Mohammed
|e Co-Author
|
700 |
|
|
|9 759783
|a Saeed, Ahmed El Sadig Mohammed
|e Co-Author
|
773 |
|
|
|4 العلوم الإنسانية ، متعددة التخصصات
|4 العلوم الاجتماعية ، متعددة التخصصات
|6 Humanities, Multidisciplinary
|6 Social Sciences, Interdisciplinary
|c 002
|e Arab journal for scientific publishing
|f al-Mağallaẗ al-ʿarabiyyaẗ li-l-našr al-ilmī
|l 040
|m ع40
|o 2502
|s المجلة العربية للنشر العلمي
|v 000
|x 2663-5798
|
856 |
|
|
|u 2502-000-040-002.pdf
|
930 |
|
|
|d y
|p y
|q n
|
995 |
|
|
|a EduSearch
|
995 |
|
|
|a HumanIndex
|
999 |
|
|
|c 1435972
|d 1435972
|