Ibuprofen causes photocleavage through ROS generation and intercalates with DNA: a combined biophysical and molecular docking approach

2015 ◽  
Vol 17 (21) ◽  
pp. 13837-13850 ◽  
Author(s):  
Mohammed Amir Husain ◽  
Tarique Sarwar ◽  
Sayeed Ur Rehman ◽  
Hassan Mubarak Ishqi ◽  
Mohammad Tabish
Keyword(s):  
Molecular Docking ◽  
Ros Generation ◽  
Inflammatory Drug ◽  
Docking Approach ◽  
Anti Inflammatory

Ibuprofen is an important nonsteroidal anti inflammatory drug which intercalates with DNA and causes phototoxicity through ROS generation.

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.

Molecular docking of anti-inflammatory drug diclofenac with metabolic targets: Potential applications in cancer therapeutics

2019 ◽  
Vol 465 ◽  
pp. 117-125 ◽  
Author(s):  
Shrish Kumar Pandey ◽  
Saveg Yadav ◽  
Yugal Goel ◽  
Mithlesh Kumar Temre ◽  
Vinay Kumar Singh ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Cancer Therapeutics ◽  
Inflammatory Drug ◽  
Potential Applications ◽  
Anti Inflammatory
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