Design, synthesis and biological evaluation of new tricyclic spiroisoxazoline derivatives as selective COX-2 inhibitors and study of their COX-2 binding modes via docking studies
Design, synthesis and biological evaluation of new tricyclic spiroisoxazoline derivatives as selective COX-2 inhibitors and study of their COX-2 binding modes via docking studies
نویسندگان: سیاوش دستمالچی , مریم حمزه میوه رود
کلمات کلیدی: Spiroisoxazoline 1,3-Dipolar cycloaddition Molecular modeling Docking
نشریه: 55386 , 5 , 25 , 2016
| نویسنده ثبت کننده مقاله |
سیاوش دستمالچی |
| مرحله جاری مقاله |
تایید نهایی |
| دانشکده/مرکز مربوطه |
مرکز تحقیقات بیوتکنولوژی(زیست فناوری) |
| کد مقاله |
61737 |
| عنوان فارسی مقاله |
Design, synthesis and biological evaluation of new tricyclic spiroisoxazoline derivatives as selective COX-2 inhibitors and study of their COX-2 binding modes via docking studies |
| عنوان لاتین مقاله |
Design, synthesis and biological evaluation of new tricyclic spiroisoxazoline derivatives as selective COX-2 inhibitors and study of their COX-2 binding modes via docking studies |
| ناشر |
5 |
| آیا مقاله از طرح تحقیقاتی و یا منتورشیپ استخراج شده است؟ |
بلی |
| عنوان نشریه (خارج از لیست فوق) |
|
| نوع مقاله |
Original Article |
| نحوه ایندکس شدن مقاله |
ایندکس شده سطح یک – ISI - Web of Science |
| آدرس لینک مقاله/ همایش در شبکه اینترنت |
https://link.springer.com/article/10.1007%2Fs00044-016-1534-x |
| A new series of 3′-(4-substitutedphenyl)-4′-(4-(methylsulfonyl)phenyl) spiroisoxazoline derivatives containing naphthalenone and chromanonespiro-bridge were synthesized for evaluation as selective cyclooxygenase-2 (COX-2) inhibitors. A synthetic reaction based on the 1,3-dipolar cycloaddition mechanism was used for the regiospecific formation of various spiroisoxazolines. One of the analogs, i.e., compound 7h, as the representative of the series was recrystallized and characterized structurally by single-crystal X-ray diffraction method. Moreover, the 3D structures of the synthesized compounds were docked into the COX-2 binding site to determine their most probable binding modes once the drug-receptor complexes are formed. |
| نام فایل |
تاریخ درج فایل |
اندازه فایل |
دانلود |
| 10.1007%2Fs00044-016-1534-x.pdf | 1396/08/16 | 9300243 | دانلود |