马闯等《Interdisciplinary Sciences: Computational Life Sciences》2021年

论文题目：SMART v1.0: ADatabase forSmall Molecules withFunctional Implications inPlants

论文作者：Beilei Lei,Minggui Song, Xiyang Li, Xiaoxue Dang, Runwen Qin, Shuai Zhu, XiaoyanAn, Qinchang Liu, Xiaojun Yao, YanmingNie, Chuang Ma

论文摘要：We developed SMART v1.0 (http:// smart. omicstudio. cloud), the first database for small molecules with functional implications in plants. The SMART database is devoted to providing and managing small molecules and their associated structural data, chemoinformatic data, protein targets, pathways and induced phenotype/function information. Currently, SMART v1.0 encompasses 1218 unique small molecules which are involved in multiple biological pathways. SMART v1.0 is featured with user-friendly interfaces, through which pathway-centered visualization of small molecules can be efficiently performed, and multiple types of searches (i.e., text search, structure similarity search and sequence similarity search) can be conveniently conducted. SMART v1.0 is also specifically designed to be a small molecule-sharing database, allowing users to release their newly discovered small molecules to public via the Contribute webpage. The SMART database will facilitate the comprehensive understanding of small molecules in complex biological processes in plants.

论文链接：https://pubmed.ncbi.nlm.nih.gov/34648133/

化学遗传学通过化学小分子研究复杂生物体系及生化过程的机制。近年来，植物化学遗传学取得了快速的发展。相较于传统的遗传学方法，化学遗传学具有独特的优势，可用于研究因突变会致死的重要基因的功能；通过同时作用于多个靶标研究冗余基因家族的功能；荧光标记的活性分子可用于研究靶标生物分子的亚细胞和组织特异性定位及转运过程等。到目前为止，研究者们已经发现并报道了相当数量的功能化学小分子，作用于植物生长发育的多个方面。为了更好地组织和综合利用这些宝贵的资源研究植物体中复杂的生物学过程的机制，我们构建了SMART数据库，为用户提供基于化学结构相似性的活性分子检索；基于序列相似性的潜在活性化学分子结构查询；基于文本关键词的检索及基于分子、靶蛋白、信号通路的化学小分子浏览。此外，数据库也提供了数据下载及提交功能。SMART v1.0访问网址http://smart.omicstudio.cloud/。

伟德BETVLCTOR1946雷蓓蕾副教授、硕士生宋明桂为论文共同第一作者。信息科学与工程学院聂艳明副教授，伟德BETVLCTOR1946马闯教授为论文的共同通讯作者。该研究工作得到了陕西省人才计划项目的资助。