Molecular dynamic simulation (MDS) and in vitro cathepsin-B inhibitory activity of decrusin angelate, ibuprofen, and thymol

2020 ◽  
pp. 1-6
Author(s):  
Chanchal Sharma ◽  
Sun Chul Kang
Keyword(s):  
Molecular Dynamic Simulation ◽  
Molecular Dynamic ◽  
Dynamic Simulation ◽  
Inhibitory Activity ◽  
Cathepsin B

New 1,2,3‐triazole–(thio)barbituric acid hybrids as urease inhibitors: Design, synthesis, in vitro urease inhibition, docking study, and molecular dynamic simulation

2020 ◽  
Vol 353 (9) ◽  
pp. 2000023
Author(s):  
Mohammad S. Asgari ◽  
Homa Azizian ◽  
Mohammad Nazari Montazer ◽  
Maryam Mohammadi‐Khanaposhtani ◽  
Mehdi Asadi ◽  
...  
Keyword(s):  
Molecular Dynamic Simulation ◽  
Molecular Dynamic ◽  
Dynamic Simulation ◽  
Barbituric Acid ◽  
Docking Study ◽  
Urease Inhibitors ◽  
Urease Inhibition ◽  
Design Synthesis
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