癌症分子靶点及其配体综合查询系统的构建  

Construction of Comprehensive Query System for Cancer Molecular Targets and Ligands

作　　者：王东海 菅富元 张翔 连晨 王义哲 赵祉硕 李文帅 杨佩兰 耿轩 韩智豪 Wang Donghai;Jian Fuyuan;Zhang Xiang;Lian Chen;Wang Yizhe;Zhao Zhishuo;Li Wenshuai;Yang Peilan;Geng Xuan;Han Zhihao(Nanjing Atomic High-Tech Co.,Ltd.,Nanjing 211100,China;School of Engineering,China Pharmaceutical University,Nanjing 211198,China)

机构地区：[1]南京原子高科医药有限公司,江苏南京211100 [2]中国药科大学工学院,江苏南京211198

出　　处：《山东化工》2023年第15期200-207,共8页Shandong Chemical Industry

基　　金：江苏省自然科学基金(BK20210417);国家级大学生创新创业训练计划项目(202210316361)。

摘　　要：建立了一个癌症分子靶点及其配体综合查询系统,在此系统中对肿瘤靶点及其配体(包括小分子抑制剂、抗体类药物、特异性配体蛋白)进行介绍、汇总。系统以网页形式可以快速浏览历年来研究成果较多的癌症分子靶点,并给出这些靶点的蛋白信息,并实现了与Uniprot数据库和PDB数据库的链接,以便于详细了解靶点蛋白信息及蛋白结构。每个靶点还会展示其靶点亲和力高的配体信息,如亲和力值、特殊连接基团、结构图、单价、药物描述等。此外,用户还可以通过筛选想要研究的配体,进行结构下载,并导入对接软件,实现和对接软件的互联互通,大大提高了对癌症分子靶点及其配体的信息获取速度,更加方便了研究者的研究。并通过癌症分子靶点及其配体综合查询系统的开发、浏览和研究,发现了一个有潜力的肿瘤影像靶标——FGFR4,其在多种肿瘤组织中高表达,而在正常组织中表达量较低,非常适合肿瘤成像的研究。A comprehensive query system for cancer molecular targets and their ligands was established.In this system,tumor targets and their ligands(including small molecule inhibitors,antibody drugs,specific ligand proteins)were introduced and summarized.The system can quickly browse the cancer molecular targets with more research results over the years in the form of web pages,and give the protein information of these targets,and link to the Uniprot database and PDB database to facilitate detailed understanding of target protein information and protein structure.Each target will also display ligand information with high target affinity,such as affinity value,special connecting group,structure diagram,unit price,drug description,etc.In addition,users can also download the structure by screening the ligands they want to study,and import the docking software to realize the interconnection with the docking software,which greatly improves the information acquisition speed of cancer molecular targets and their ligands,and facilitates the research of researchers.Through the development,browsing and research of a comprehensive query system for cancer molecular targets and their ligands,we found a potential tumor imaging target-FGFR4,which is highly expressed in a variety of tumor tissues and lowly expressed in normal tissues,which is very suitable for tumor imaging research.

关 键 词：癌症 靶点 配体 药物 查询系统 

分 类 号：TQ015.9[化学工程]