Computational investigation of adenosine 5′-(α,β-methylene)-diphosphate (AMPCP) derivatives as ecto-5′-nucleotidase (CD73) inhibitors by using 3D-QSAR, molecular docking, and molecular dynamics simulations

Author(s):  
Jiatong Wen ◽  
Heng Zhang ◽  
Churen Meng ◽  
Di Zhou ◽  
Gang Chen ◽  
...  
2021 ◽  
Author(s):  
Lu Chen ◽  
Wen-Guang Liu ◽  
Fei Xiong ◽  
Chao Ma ◽  
Chen Sun ◽  
...  

HBV capsid protein (CP) plays a vital role in multiple life cycles of HBV and represents a novel anti-HBV target. Recently, a novel series of heteroaryldihydropyrimidine (HAPs) derivatives have been...


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