Molecular modelling studies on flavonoid derivatives as dual site inhibitors of human acetyl cholinesterase using 3D-QSAR, pharmacophore and high throughput screening approaches

2013 ◽  
Vol 23 (4) ◽  
pp. 2122-2132 ◽  
Author(s):  
Manisha Goyal ◽  
Sonam Grover ◽  
Jaspreet Kaur Dhanjal ◽  
Sukriti Goyal ◽  
Chetna Tyagi ◽  
...  
Keyword(s):  
High Throughput ◽  
Molecular Modelling ◽  
High Throughput Screening ◽  
3D Qsar ◽  
Acetyl Cholinesterase ◽  
Molecular Modelling Studies ◽  
Modelling Studies ◽  
Dual Site ◽  
Screening Approaches

Recreational drugs 25I-NBOH and 25I-NBOMe bind to both Sudlow's sites I and II of Human Serum Albumin (HSA): Biophysical and molecular modeling studies

2021 ◽  
Author(s):  
Wellington Alves de Barros ◽  
Marina de Magalhães Silva ◽  
Maria Dayanne de Araújo Dantas ◽  
Josue Santos ◽  
Isis Figueiredo ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Molecular Modelling ◽  
Recreational Drugs ◽  
Modeling Studies ◽  
Molecular Modelling Studies ◽  
Modelling Studies ◽  
Molecular Modeling Studies

Experimental, biophysical, and molecular modelling studies between 25I-NBOH and 25I-NBOMe with human serum albumin (HSA) have indicated that these recreational drugs simultaneously bind to site I and II of the...

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