In-silico investigation of tubulin binding modes of a series of novel antiproliferative spiroisoxazoline compounds using docking studies
In-silico investigation of tubulin binding modes of a series of novel antiproliferative spiroisoxazoline compounds using docking studies
نویسندگان: سیاوش دستمالچی , مریم حمزه میوه رود , علی اکبر علیزاده
کلمات کلیدی: Spiroisoxazoline; Molecular docking; Ligand protein interactions.
نشریه: , 1 , 14 , 2015
| نویسنده ثبت کننده مقاله |
سیاوش دستمالچی |
| مرحله جاری مقاله |
تایید نهایی |
| دانشکده/مرکز مربوطه |
مرکز تحقیقات بیوتکنولوژی(زیست فناوری) |
| کد مقاله |
59385 |
| عنوان فارسی مقاله |
In-silico investigation of tubulin binding modes of a series of novel antiproliferative spiroisoxazoline compounds using docking studies |
| عنوان لاتین مقاله |
In-silico investigation of tubulin binding modes of a series of novel antiproliferative spiroisoxazoline compounds using docking studies |
| ناشر |
6 |
| 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://www.ncbi.nlm.nih.gov/pmc/articles/PMC4277627/pdf/ijpr-14-141.pdf |
| Interference with microtubule polymerization results in cell cycle arrest leading to cell
death. Colchicine is a well-known microtubule polymerization inhibitor which does so by
binding to a specific site on tubulin. A set of 3′, 4′-bis (substituted phenyl)-4′H-spiro [indene-2,
5′-isoxazol]-1(3H)-one derivatives with known antiproliferative activities were evaluated for
their tubulin binding modes. 3D structures of the derivatives were docked into the colchicine
binding site of tubulin using GOLD 5.0 program under flexible ligand and semi-flexible receptor
condition. The spiroisoxazoline derivatives bind tubulin in a similar manner to colchicine by
establishing at least a hydrogen bonding to Cys241 as well as hydrophobic interactions with
Leu255, Ile378 and Lys254 and few other residues at the binding pocket. It can be concluded that
the spiroisoxazoline core structure common to the studied derivatives is a suitable scaffold for
placing the antitubulin pharmacophoric groups in appropriate spatial positions required for
tubulin binding activity. |
| نام فایل |
تاریخ درج فایل |
اندازه فایل |
دانلود |
| ijpr-14-141.pdf | 1395/08/27 | 1124920 | دانلود |