| 王卓亚,杨金波.以非洲猪瘟病毒DNA聚合酶X为靶点的海洋药物计算机虚拟筛选[J].中国海洋药物,2018,37(6):1-7. |
| 以非洲猪瘟病毒DNA聚合酶X为靶点的海洋药物计算机虚拟筛选 |
| Virtual drug screening of marine natural products targeting African swine fever virus DNA polymerase X |
| 投稿时间：2018-09-10 修订日期：2018-12-17 |
| DOI： |
| 中文关键词: 非洲猪瘟病毒 天然产物 海洋化合物 非洲猪瘟病毒DNA聚合酶X 虚拟筛选 |
| English Keywords:African swine fever virus natural products marine compounds AsfvPolX virtual screening |
| Fund Project: |
|
| 摘要点击次数: 4911 |
| 全文下载次数: 1092 |
| 中文摘要: |
| 摘 要：目的 从天然产物中高效快速的筛选出一批有效针对非洲猪瘟病毒的药物苗头化合物，为寻找能抑制猪瘟蔓延的生物饲料提供线索。方法 利用计算机辅助药物设计技术，以非洲猪瘟病毒。DNA聚合酶X的DNA结合区为靶点，进行虚拟筛选，在陆生和海洋天然产物中，化合物通过文献搜索和数据库查询明确部分天然产物的来源。结果 从陆生天然产物库中筛选出16个苗头化合物，其中有5个源自中国；在海洋化合物数据库MarineChem3D中得到了59个苗头化合物，其中有8个源自中国。结论 我国境内分布有13种潜在的具抑制非洲猪瘟效果的天然产物，其中大部分来源于海洋生物。 |
| English Summary: |
| Abstract: Objective Efficient and rapid screening of a number of compound hits against African swine fever virus from natural products provides clues for finding bio-feeds that inhibit the spread of swine fever. Methods Using computer-assisted drug design techniques, the DNA binding region of the African swine fever virus DNA polymerase X was targeted for virtual screening. In terms of terrestrial and marine natural products, some of compounds can be identified by literature searches and database queries. Result Sixteen compound hits were screened from the terrestrial natural product database; Fifty-nine compound hits were obtained in the marine compound database MarineChem3D. Conclusion There are thirteen potential natural products in China that have the effect of inhibiting African swine fever, most of which are derived from marine life. |
| 查看全文 查看/发表评论 下载PDF阅读器 |
|
| 关闭 |