研究文章
构象建模和分子对接一些活性化合物的分析结核分枝杆菌受体(Mtb CYP121)
表1
分子结构的1、2、4-Triazole衍生品和他们的活动。
|
| S / N |
分子 |
实验
活动
(pBA) |
|
| 1 |
|
4.925 |
|
|
|
|
5.0345 |
|
| 3 |
|
5.0064 |
|
| 4 |
|
5.7386 |
|
|
|
|
5.5994 |
|
|
|
|
5.4543 |
|
| 7 |
|
4.7441 |
|
| 8 |
|
6.1674 |
|
|
|
|
6.3456 |
|
| 10 |
|
7.4134 |
|
| 11 |
|
5.7441 |
|
| 12 |
|
5.9258 |
|
|
|
|
5.6754 |
|
| 14 |
|
6.3793 |
|
| 15 |
|
6.1667 |
|
|
|
|
5.8765 |
|
| 17 |
|
6.4171 |
|
| 18 |
|
5.9413 |
|
| 19 |
|
7.6397 |
|
| 20. |
|
8.0899 |
|
| 21 |
|
6.3981 |
|
| 22 |
|
5.8131 |
|
| 23 |
|
6.2878 |
|
| 24 |
|
5.7268 |
|
| 25 |
|
7.366 |
|
|
|
|
7.0123 |
|
| 27 |
|
6.5267 |
|
| 28 |
|
5.7405 |
|
|
|
|
5.6533 |
|
|
|
|
6.1923 |
|
| 31日 |
|
7.3233 |
|
| 32 |
|
6.0097 |
|
| 33 |
|
6.0928 |
|
| 34 |
|
7.3279 |
|
| 35 |
|
6.8568 |
|
|
|
|
6.2234 |
|
| 37 |
|
7.3079 |
|
| 38 |
|
7.314 |
|
|
|
|
8.5854 |
|
| 40 |
|
8.0615 |
|
| 41 |
|
8.0615 |
|
|
|
|
6.8494 |
|
| 43 |
|
7.9432 |
|
|
|
|
7.4535 |
|
| 45 |
|
7.9759 |
|
| 46 |
|
7.9759 |
|
| 47 |
|
7.9294 |
|
|
|
|
6.1213 |
|
| 49 |
|
5.4406 |
|
|
|
|
4.9074 |
|
|
|
|
