scholarly journals Multiple 3D-QSAR modeling, e-pharmacophore, molecular docking, and in vitro study to explore novel AChE inhibitors

RSC Advances ◽  
2018 ◽  
Vol 8 (69) ◽  
pp. 39477-39495 ◽  
Author(s):  
Srabanti Jana ◽  
Ankit Ganeshpurkar ◽  
Sushil Kumar Singh
Keyword(s):  
Molecular Docking ◽  
In Vitro Study ◽  
3D Qsar ◽  
Vitro Study ◽  
Qsar Modeling ◽  
Ache Inhibitors ◽  
Site Selective

Ligand-based and energy-optimized structure-based approaches were helpful to obtain excellent candidates as non-toxic, PAS site selective, non-competitive AChE inhibitors.

Integration of common feature pharmacophore modeling and in vitro study to identify potent AChE inhibitors

2016 ◽  
Vol 25 (12) ◽  
pp. 2965-2975 ◽  
Author(s):  
Sneha Patil ◽  
Ankit Tyagi ◽  
Jane Jose. ◽  
Krishnakumar N. Menon ◽  
C. Gopi Mohan
Keyword(s):  
In Vitro Study ◽  
Pharmacophore Modeling ◽  
Vitro Study ◽  
Ache Inhibitors

scholarly journals In silico and in vitro Study of the Inhibitory Effect of Antiinflammatory Drug Betamethasone on Two Lipases

2020 ◽  
Vol 19 (4) ◽  
pp. 387-392
Author(s):  
Nia Samira ◽  
Benarous Khedidja ◽  
Abdelalim Fatima Zahra ◽  
Chellali Khadidja Nour Elyakine ◽  
Yousfi Mohamed
Keyword(s):  
Molecular Docking ◽  
In Silico ◽  
Candida Rugosa ◽  
In Vitro Study ◽  
Antiinflammatory Drug ◽  
Inhibitory Effect ◽  
Vitro Study ◽  
Inflammatory Drug ◽  
Anti Inflammatory

Background: For the first time, the anti-inflammatory drug betamethasone is investigated for its inhibitory activity against lipase. Objective: This work aims to demonstrate the in vitro and in silico inhibitory effect of the anti-inflammatory drug betamethasone on the enzymatic activity of two lipases. Methods: In vitro study using p-nitrophenyllaurate as lipase substrate is used to determine inhibition potency. Molecular Docking is performed using the Autodock Vina for drug molecule and two enzymes Candida rugosa lipase and human pancreatic lipase. Results: Betamethasone represents a moderate inhibition effect with a value of IC50 of 0.36±0.01 mg/ml. Molecular docking allowed us to understand inhibitory – enzyme interactions and to confirm in vitro obtained results. Conclusion: These experiments showed that betamethasone can be used in the treatment of diseases related to lipase activity.

In vitro study on the interaction of Mn(II)-DiAmsar with human serum albumin (HSA) and bovine serum albumin (BSA) by spectroscopic and molecular docking methods

2014 ◽  
Vol 12 (4) ◽  
pp. 715-725 ◽  
Author(s):  
Zari Hooshyar ◽  
Ghasem Rezanejade Bardajee ◽  
Pegah Shafagh ◽  
Samira Ghiasvand ◽  
Mohaddeseh Khanjari ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Human Serum Albumin ◽  
Bovine Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Bovine Serum ◽  
In Vitro Study ◽  
Vitro Study
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