Bioactive compounds of Shuang-Huang-Lian prescription and an insight into its binding mechanism by β2-adrenoceptor chromatography coupled with site-directed molecular docking

2017 ◽  
Vol 40 (22) ◽  
pp. 4357-4365 ◽  
Author(s):  
Jing Wang ◽  
Fengwu Li ◽  
Kaizhu Zeng ◽  
Qian Li ◽  
Xinfeng Zhao ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Bioactive Compounds ◽  
Binding Mechanism ◽  
Insight Into

Characterization of regio- and stereo-selective sulfation of bufadienolides: exploring the mechanism and providing insight into the structure–sulfation relationship by experimentation and molecular docking analysis

RSC Advances ◽  
2016 ◽  
Vol 6 (7) ◽  
pp. 5774-5783 ◽  
Author(s):  
Jing Ning ◽  
Yonglei Cui ◽  
Chao Wang ◽  
Peipei Dong ◽  
Guangbo Ge ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Bioactive Compounds ◽  
Skin Secretion ◽  
Amphibian Skin ◽  
Docking Analysis ◽  
Major Class ◽  
Insight Into ◽  
Molecular Docking Analysis

Bufadienolides are a major class of bioactive compounds derived from amphibian skin secretion.

Synthesis, antiviral, DFT and molecular docking studies of some novel 1,2,4-triazine nucleosides as potential bioactive compounds

2021 ◽  
Vol 500 ◽  
pp. 108246
Author(s):  
Ahmed I. Khodair ◽  
Ahmed A. El-Barbary ◽  
Dalia R. Imam ◽  
Nabila A. Kheder ◽  
Faisal Elmalki ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Bioactive Compounds ◽  
Docking Studies ◽  
Molecular Docking Studies

Insights into the binding mechanism of Putrescine on α-amylase by multiple spectroscopic techniques and molecular docking

2021 ◽  
pp. 130702
Author(s):  
Fatemeh Heibati-Goojani ◽  
Sadegh Farhadian ◽  
Behzad Shareghi ◽  
Fatemeh Hashemi Shahraki ◽  
Elham Ziaee
Keyword(s):  
Molecular Docking ◽  
Spectroscopic Techniques ◽  
Binding Mechanism
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