Investigation of quinoline-4-carboxylic acid as a highly potent scaffold for the development of alkaline phosphatase inhibitors: synthesis, SAR analysis and molecular modelling studies

RSC Advances ◽  
2015 ◽  
Vol 5 (79) ◽  
pp. 64404-64413 ◽  
Author(s):  
Imtiaz Khan ◽  
Syed Jawad Ali Shah ◽  
Syeda Abida Ejaz ◽  
Aliya Ibrar ◽  
Shahid Hameed ◽  
...  
Keyword(s):  
Alkaline Phosphatase ◽  
Carboxylic Acid ◽  
Molecular Modelling ◽  
Phosphatase Inhibitors ◽  
Molecular Modelling Studies ◽  
Modelling Studies ◽  
Sar Analysis

The present study is directed towards the development of quinoline-4-carboxylic acid derivatives as potential alkaline phosphatase inhibitors.

Influence of the diversified structural variations at the imine functionality of 4-bromophenylacetic acid derived hydrazones on alkaline phosphatase inhibition: synthesis and molecular modelling studies

RSC Advances ◽  
2015 ◽  
Vol 5 (110) ◽  
pp. 90806-90818 ◽  
Author(s):  
Imtiaz Khan ◽  
Aliya Ibrar ◽  
Syeda Abida Ejaz ◽  
Shafi Ullah Khan ◽  
Syed Jawad Ali Shah ◽  
...  
Keyword(s):  
Alkaline Phosphatase ◽  
Molecular Modelling ◽  
Binding Mode ◽  
Structural Variations ◽  
Molecular Modelling Studies ◽  
Modelling Studies ◽  
Phosphatase Inhibition ◽  
Alkaline Phosphatase Inhibition

Putative binding mode of 4g inside the active pocket of h-PLAP.

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...

Discovery of potent anticonvulsant ligands as dual NMDA and AMPA receptors antagonists by molecular modelling studies

2011 ◽  
Vol 21 (11) ◽  
pp. 3465-3484 ◽  
Author(s):  
Shailesh V. Jain ◽  
Kamlendra S. Bhadoriya ◽  
Sanjaykumar B. Bari ◽  
Nitendra K. Sahu ◽  
Manjunath Ghate
Keyword(s):  
Molecular Modelling ◽  
Ampa Receptors ◽  
Molecular Modelling Studies ◽  
Modelling Studies
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