Structure–activity relationship and binding mode studies for a series of diketo-acids as HIV integrase inhibitors by 3D-QSAR, molecular docking and molecular dynamics simulations

RSC Advances ◽  
2016 ◽  
Vol 6 (33) ◽  
pp. 27594-27606 ◽  
Author(s):  
Dan Han ◽  
Min Su ◽  
Jianjun Tan ◽  
Chunhua Li ◽  
Xiaoyi Zhang ◽  
...  
Keyword(s):  
3D Qsar ◽  
Binding Mode ◽  
Hiv Integrase ◽  
Integrase Inhibitors ◽  
Factors Affecting ◽  
Structure Activity ◽  
Main Factors ◽  
Dynamics Simulations ◽  
Diketo Acids ◽  
Hiv Integrase Inhibitors

We explored the main factors affecting the activity of compounds by different statistical and computational methods.

scholarly journals Peptidic HIV integrase inhibitors derived from HIV gene products: Structure–activity relationship studies

2010 ◽  
Vol 18 (18) ◽  
pp. 6771-6775 ◽  
Author(s):  
Shintaro Suzuki ◽  
Kasthuraiah Maddali ◽  
Chie Hashimoto ◽  
Emiko Urano ◽  
Nami Ohashi ◽  
...  
Keyword(s):  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Gene Products ◽  
Hiv Integrase ◽  
Integrase Inhibitors ◽  
Structure Activity ◽  
Hiv Integrase Inhibitors

6-Benzylamino 4-oxo-1,4-dihydro-1,8-naphthyridines and 4-oxo-1,4-dihydroquinolines as HIV integrase inhibitors

2011 ◽  
Vol 21 (2) ◽  
pp. 760-763 ◽  
Author(s):  
Johnny Y. Nagasawa ◽  
Jenny Song ◽  
Huanming Chen ◽  
Hong-Woo Kim ◽  
Julie Blazel ◽  
...  
Keyword(s):  
Hiv Integrase ◽  
Integrase Inhibitors ◽  
Hiv Integrase Inhibitors
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