Chondrotinase ABC I thermal stability is enhanced by site-directed mutagenesis: a molecular dynamic simulations approach

2017 ◽  
Vol 36 (3) ◽  
pp. 679-688
Author(s):  
Kowsar Bagherzadeh ◽  
Monireh Maleki ◽  
Abolfazl Golestani ◽  
Khosro Khajeh ◽  
Massoud Amanlou
Keyword(s):  
Thermal Stability ◽  
Molecular Dynamic ◽  
Site Directed Mutagenesis ◽  
Directed Mutagenesis ◽  
Molecular Dynamic Simulations ◽  
Dynamic Simulations

scholarly journals Discovery of Homobivalent Bitopic Ligands Of The Cannabinoid Cb2 Receptor

2020 ◽  
Author(s):  
Paula Morales ◽  
Gemma Navarro ◽  
Marc Gómez-Autet ◽  
Laura Redondo ◽  
Javier Fernandez-Ruiz ◽  
...  
Keyword(s):  
Molecular Dynamic ◽  
Binding Sites ◽  
Binding Mode ◽  
Site Directed Mutagenesis ◽  
Directed Mutagenesis ◽  
Cb1 Receptors ◽  
Molecular Dynamic Simulations ◽  
Cb2 Receptor ◽  
Dynamic Simulations ◽  
Single Chemical

<p>Single chemical entities with potential to simultaneously interact with two binding sites are emerging strategies in medicinal chemistry. We have designed, synthesized and functionally characterized the first bitopic ligands for the CB2 receptor. These compounds selectively target CB2 versus CB1 receptors. Their binding mode was studied by molecular dynamic simulations and site-directed mutagenesis</p> <p><br></p>

scholarly journals Discovery of Homobivalent Bitopic Ligands Of The Cannabinoid Cb2 Receptor

2020 ◽  
Author(s):  
Paula Morales ◽  
Gemma Navarro ◽  
Marc Gómez-Autet ◽  
Laura Redondo ◽  
Javier Fernandez-Ruiz ◽  
...  
Keyword(s):  
Molecular Dynamic ◽  
Binding Sites ◽  
Binding Mode ◽  
Site Directed Mutagenesis ◽  
Directed Mutagenesis ◽  
Cb1 Receptors ◽  
Molecular Dynamic Simulations ◽  
Cb2 Receptor ◽  
Dynamic Simulations ◽  
Single Chemical

<p>Single chemical entities with potential to simultaneously interact with two binding sites are emerging strategies in medicinal chemistry. We have designed, synthesized and functionally characterized the first bitopic ligands for the CB2 receptor. These compounds selectively target CB2 versus CB1 receptors. Their binding mode was studied by molecular dynamic simulations and site-directed mutagenesis</p> <p><br></p>

scholarly journals Ranking the Efficiency of Gas Hydrate Anti-agglomerants through Molecular Dynamic Simulations

2021 ◽  
Vol 125 (5) ◽  
pp. 1487-1502
Author(s):  
Stephan Mohr ◽  
Felix Hoevelmann ◽  
Jonathan Wylde ◽  
Natascha Schelero ◽  
Juan Sarria ◽  
...  
Keyword(s):  
Molecular Dynamic ◽  
Gas Hydrate ◽  
Molecular Dynamic Simulations ◽  
Dynamic Simulations
Sign in / Sign up

Export Citation Format

Share Document