延长分子动力学和二次结构内观,以确定尼帕病毒的双重目标抑制剂,施加批准的小分子重定位

Siyun Yang1, Supratik Kar2

  • 1Chemometrics and Molecular Modeling Laboratory, Department of Chemistry and Physics, Kean University, 1000 Morris Avenue, Union, NJ, 07083, USA.

Scientific reports
|February 15, 2024
PubMed
概括

尼帕病毒 (NiV) 构成了流行病威胁. 重用药物将Iotrolan和Iodixanol确定为NiV进入和组装的双重抑制剂,而Rutin和Lactitol则准矩阵蛋白.