PDF(Pubmed)
Abstract：
Dentilisin is a surface protease synthesized by the cell wall of Treponema denticola. This protein aids in the invasion of the periodontal tissue by causing infection. To identify drug molecules that have better results, homology modeling of the dentilisin protein was constructed, and molecular docking was performed with the oxazole compounds (1-6) taken from previous studies that are not yet clinically used. Data shows that compounds 1, 2, 3 show better inhibiting properties.
摘要：
牙本质蛋白酶是由密螺旋体细胞壁合成的表面蛋白酶。该蛋白质通过引起感染而有助于牙周组织的侵入。为了识别出效果更好的药物分子，构建了牙本质蛋白的同源性模型，和分子对接与从以前的研究，尚未临床使用的恶唑化合物（1-6）进行。数据显示化合物1、2、3显示出更好的抑制性质。
