An expedient synthesis ofN-(1-(5-mercapto-4-((substituted benzylidene)amino)-4H-1,2,4-triazol-3-yl)-2-phenylethyl)benzamides as jack bean urease inhibitors and free radical scavengers: Kinetic mechanism and molecular docking studies

2017 ◽  
Vol 90 (5) ◽  
pp. 764-777 ◽  
Author(s):  
Aamer Saeed ◽  
Fayaz Ali Larik ◽  
Pervaiz Ali Channar ◽  
Haroon Mehfooz ◽  
Mohammad Haseeb Ashraf ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Free Radical ◽  
Kinetic Mechanism ◽  
Docking Studies ◽  
Free Radical Scavengers ◽  
Urease Inhibitors ◽  
Jack Bean Urease ◽  
Radical Scavengers ◽  
Jack Bean ◽  
Molecular Docking Studies

scholarly journals Synthesis, Urease Inhibition, Antioxidant, Antibacterial, and Molecular Docking Studies of 1,3,4-Oxadiazole Derivatives

2012 ◽  
Vol 2012 ◽  
pp. 1-9 ◽  
Author(s):  
Muhammad Hanif ◽  
Khurram Shoaib ◽  
Muhammad Saleem ◽  
Nasim Hasan Rama ◽  
Sumera Zaib ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Potassium Hydroxide ◽  
Antioxidant Activities ◽  
Docking Studies ◽  
Potassium Salts ◽  
Jack Bean ◽  
Molecular Docking Studies ◽  
Oxadiazole Derivatives ◽  
Urease Inhibitory

A series of eighteen 1,3,4-oxadiazole derivatives have been synthesized by treating aromatic acid hydrazides with carbon disulfide in ethanolic potassium hydroxide yielding potassium salts of 1,3,4-oxadiazoles. Upon neutralization with 1 N hydrochloric acid yielded crude crystals of 1,3,4-oxadiazoles, which were purified by recrystallization in boiling methanol. The synthesized 1,3,4-oxadiazoles derivatives were evaluated in vitro for their urease inhibitory activities, most of the investigated compounds were potent inhibitors of Jack bean urease. The molecular docking studies were performed by docking them into the crystal structure of Jack bean urease to observe the mode of interaction of synthesized compounds. The synthesized compounds were also tested for antibacterial and antioxidant activities and some derivatives exhibited very promising results.

Semicarbazone derivatives as urease inhibitors: Synthesis, biological evaluation, molecular docking studies and in-silico ADME evaluation

2018 ◽  
Vol 79 ◽  
pp. 19-26 ◽  
Author(s):  
Syeda Uroos Qazi ◽  
Shafiq Ur Rahman ◽  
Asia Naz Awan ◽  
Mariya al-Rashida ◽  
Rima D. Alharthy ◽  
...  
Keyword(s):  
Molecular Docking ◽  
In Silico ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Urease Inhibitors ◽  
Molecular Docking Studies
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