Identification of novel insect β-N-acetylhexosaminidase OfHex1 inhibitors based on virtual screening, biological evaluation, and molecular dynamics simulation

2020 ◽  
pp. 1-9
Author(s):  
Lili Dong ◽  
Shengqiang Shen ◽  
Yefei Xu ◽  
Leng Wang ◽  
Qing Yang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Virtual Screening ◽  
Biological Evaluation ◽  
Dynamics Simulation

Identification of fosaprepitant as a novel GSTP1 inhibitor through structure-based virtual screening, molecular dynamics simulation, and biological evaluation

2021 ◽  
Author(s):  
Hao Lin ◽  
Wenxiu Sun ◽  
Tao Zeng ◽  
Hengda Li ◽  
Chenming Xu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Virtual Screening ◽  
Biological Evaluation ◽  
Therapeutic Agents ◽  
Dynamics Simulation ◽  
Glutathione S Transferase ◽  
Promising Target ◽  
Cancer Cell Survival ◽  
Prevention And Therapy

Glutathione S-transferase P1 (GSTP1) is a promising target for cancer prevention and therapy, particularly because of its involvement in promoting cancer cell survival and resistance of tumors to therapeutic agents....

Identification of novel CDK 9 inhibitors based on virtual screening, molecular dynamics simulation, and biological evaluation

Life Sciences ◽  
2020 ◽  
Vol 258 ◽  
pp. 118228
Author(s):  
Mingfei Wu ◽  
Jianfei Han ◽  
Zhicheng Liu ◽  
Yilong Zhang ◽  
Cheng Huang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Virtual Screening ◽  
Biological Evaluation ◽  
Dynamics Simulation
Sign in / Sign up

Export Citation Format

Share Document