Pharmacophore modeling, 3D-QSAR, and molecular docking study on naphthyridine derivatives as inhibitors of 3-phosphoinositide-dependent protein kinase-1

2012 ◽  
Vol 22 (8) ◽  
pp. 3812-3822 ◽  
Author(s):  
Palani Kirubakaran ◽  
Karthikeyan Muthusamy ◽  
Kh. Dhanachandra Singh ◽  
Selvaraman Nagamani
Keyword(s):  
Molecular Docking ◽  
Protein Kinase ◽  
3D Qsar ◽  
Docking Study ◽  
Pharmacophore Modeling ◽  
Molecular Docking Study ◽  
Dependent Protein Kinase ◽  
Dependent Protein

A combined pharmacophore modeling, 3D-QSAR and molecular docking study of substituted bicyclo-[3.3.0]oct-2-enes as liver receptor homolog-1 (LRH-1) agonists

2013 ◽  
Vol 1049 ◽  
pp. 315-325 ◽  
Author(s):  
Manisha Lalit ◽  
Rahul P. Gangwal ◽  
Gaurao V. Dhoke ◽  
Mangesh V. Damre ◽  
Kanchan Khandelwal ◽  
...  
Keyword(s):  
Molecular Docking ◽  
3D Qsar ◽  
Docking Study ◽  
Pharmacophore Modeling ◽  
Molecular Docking Study

Combined 3D-QSAR modeling and molecular docking study on azacycles CCR5 antagonists

2013 ◽  
Vol 1045 ◽  
pp. 35-41 ◽  
Author(s):  
Yongjun Ji ◽  
Mao Shu ◽  
Yong Lin ◽  
Yuanqiang Wang ◽  
Rui Wang ◽  
...  
Keyword(s):  
Molecular Docking ◽  
3D Qsar ◽  
Docking Study ◽  
Molecular Docking Study ◽  
Qsar Modeling ◽  
Ccr5 Antagonists

scholarly journals Synthesis and Molecular Docking Studies of Coumarinyl Thiazole as Cell Division Protein Kinase 2 Inhibitor

2019 ◽  
Vol 31 (11) ◽  
pp. 2453-2456
Author(s):  
J. Brindha ◽  
T.F. Abbs Fen Reji
Keyword(s):  
Molecular Docking ◽  
Cell Division ◽  
Protein Kinase ◽  
Screening Tool ◽  
Docking Study ◽  
Docking Studies ◽  
Autodock Vina ◽  
Molecular Docking Study ◽  
Molecular Docking Studies ◽  
Cell Division Protein

A series of 2-alkylamino-4-(3-coumarinyl)thiazoles were synthesized, characterized and evaluated their anticancer activity through molecular docking studies. Cell division protein kinase 2 (PDB code: 1KE9) is selected as a target and the compounds which obeys Lipinski rule of five is selected as a ligand. Molecular docking study is carried out using AutoDock Vina in PyRx virtual screening tool. This study revealed that all the compounds are active against the molecular target and compounds 5a and 5c have the highest docking score.

Molecular Docking Study Based on Pharmacophore Modeling for Novel PhosphodiesteraseIV Inhibitors

2012 ◽  
Vol 31 (6-7) ◽  
pp. 459-471 ◽  
Author(s):  
Gülşah Çifci ◽  
Viktorya Aviyente ◽  
E. Demet Akten
Keyword(s):  
Molecular Docking ◽  
Docking Study ◽  
Pharmacophore Modeling ◽  
Molecular Docking Study
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