论文
论文标题: An insight into the interaction between Indisulam and human serum albumin: Spectroscopic method, computer simulation and in vitro cytotoxicity assay
作者: Zhou, Bijia; Zhou, Hui; Xu, Linlin; Cai, Ruirui; Chen, Chaolan; Chi, Baozhu; Tuo, Xun
出版刊物: BIOORGANIC CHEMISTRY
出版日期: OCT
出版年份: 2022
卷/期:
DOI: 10.1016/j.bioorg.2022.106017
论文摘要: Indisulam (IDM) is a sulfanilamide anticancer agent and has been identified as a molecular glue recently. It shows potential for novel therapies development and brings more hope for curing human diseases. The affinity between molecular glues and plasma protein makes it significant to understand the characteristics of such substances. Therefore, the interaction between IDM and human serum albumin (HSA) was explored through solvent experiments, computer simulation experiments, enzyme kinetics experiments, and cell viability assay. The results revealed that IDM and HSA spontaneously formed stable binary complex with the binding constant of the order 10(5 )M(-1). IDM inserted in the site I of HSA, resulting the change in HSA secondary structure. And pi electrons in IDM's benzene rings, as well as van der Waals forces and the H-bond, all helped to stabilize the HSA-IDM complex. The results of molecular dynamic simulation (MD) corresponded with the results from solvent experiment well. For instance, there were approximately 1-5 H-bonds between IDM and HSA. Lys199 and Arg218 were crucial energy contributors in the binding process. The esterase-like activity experiment confirmed that IDM inhibited the catalytic activity of HSA. In addition, cell experiment revealed that serum albumin can significantly reduce the cytotoxicity of IDM towards human embryonic kidney 293T (HEK293T) cells.
== 实验室与学会 ==
  • == 实验室与学会 ==
  • 水产品种创制与高效养殖全国重点实验室
  • 中国科学院藻类生物学重点实验室
  • 农业部淡水养殖病害防治重点实验室
  • 武汉白暨豚保护基金会
  • 湖北省海洋湖沼学会
  • 中国动物学会原生动物学分会
  • 中国动物学会斑马鱼分会
  • 湖北省暨武汉动物学会
  • 中国水产学会鱼病学专业委员会
  • 中国鱼类学会
== 平台建设 ==
  • == 平台建设 ==
  • “一带一路”海域赤潮数据库
  • 国家水生生物种质资源库
  • 国家斑马鱼资源中心
  • 中国科学院淡水藻种库
  • 中国科学院武汉生命科学大型仪器区域中心
  • 湿地生态系统观测研究野外站联盟
  • 中国科学院水生生物研究所分析测试中心
  • 中国科学院超级计算武汉分中心
  • 水生生物博物馆
== 相关网站推荐 ==
  • == 相关网站推荐 ==
  • 中国科学院
  • 农业农村部
  • 科学技术部
  • 生态环境部
  • 国家自然科学基金委员会
  • 中国科学院武汉分院
  • 湖北省科学技术厅
  • 湖北省生态环境厅
  • 湖北省农业农村厅