RSC Adv., 2021,11, 17408-17412
期刊：RSC Advances
作者：Sivakumar Sekharan, Xuetao Liu, Zhuocen Yang, Xiang Liu, Li Deng, Shigang Ruan, Yuriy Abramov, GuangXu Sun, Sizhu Lib, Tian Zhou, Baime Shi, Qun Zeng, Qiao Zeng, Chao Chang, Yingdi Jin and Xuekun Shi
時間：2021-05-12
Therapeutic options in response to the coronavirus disease 2019 (COVID-19) outbreak are urgently needed. In this communication, we demonstrate how to support selection of a stable solid form of an antiviral drug remdesivir in quick time using the microcrystal electron diffraction (MicroED) technique and a cloud-based and artificial intelligence implemented crystal structure prediction platform. We present the MicroED structures of remdesivir forms II and IV and conclude that form II is more stable than form IV at ambient temperature in agreement with experimental observations. The combined experimental and theoretical study can serve as a template for formulation scientists in the pharmaceutical industry.
