Design, synthesis, molecular docking studies and in vitro screening of ethyl 4-(3-benzoylthioureido) benzoates as urease inhibitors

2014 ◽  
Vol 52 ◽  
pp. 1-7 ◽  
Author(s):  
Aamer Saeed ◽  
Muhammad Siraj Khan ◽  
Hummera Rafique ◽  
Mohammad Shahid ◽  
Jamshed Iqbal
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Urease Inhibitors ◽  
In Vitro Screening ◽  
Design Synthesis ◽  
Molecular Docking Studies

Synthesis, molecular docking studies, and in vitro screening of sulfanilamide-thiourea hybrids as antimicrobial and urease inhibitors

2012 ◽  
Vol 22 (8) ◽  
pp. 3653-3662 ◽  
Author(s):  
Aamer Saeed ◽  
Sumera Zaib ◽  
Arshid Pervez ◽  
Amara Mumtaz ◽  
Mohammad Shahid ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Urease Inhibitors ◽  
In Vitro Screening ◽  
Molecular Docking Studies

Design, synthesis, in-vitro evaluation and molecular docking studies of novel indole derivatives as inhibitors of SIRT1 and SIRT2

2019 ◽  
Vol 92 ◽  
pp. 103281 ◽  
Author(s):  
Ramu Manjula ◽  
Nikhila Gokhale ◽  
Sruthi Unni ◽  
Prashant Deshmukh ◽  
Rajkumar Reddyrajula ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Indole Derivatives ◽  
Design Synthesis ◽  
In Vitro Evaluation ◽  
Molecular Docking Studies

Design, Synthesis, Anticancer Activity and Molecular Docking Studies of 2,5-Disubstituted-1,3,4-Oxadiazoles Containing Benzimidazole Moiety

2020 ◽  
Vol 17 (12) ◽  
pp. 959-968
Author(s):  
Ramamurthy Katikireddy ◽  
Ramu Kakkerla ◽  
M.P.S. Murali Krishna ◽  
Gandamalla Durgaiah ◽  
Y.N. Reddy
Keyword(s):  
Molecular Docking ◽  
Anticancer Activity ◽  
Cell Lines ◽  
Hek293 Cell ◽  
Docking Studies ◽  
Design Synthesis ◽  
Molecular Docking Studies ◽  
Pin1 Protein

A series of benzimidazolyl-1,3,4-oxadiazoles (7a-k) were synthesized and evaluated for in vitro anticancer activity against HeLa, MCF7, A549, and HEK293 cell lines. The results indicate that compounds 7b, 7j and 7k have shown excellent anticancer activity and while most of the compounds were non toxic to normal HEK293 cell lines. Molecular docking results of the synthesized compounds with the target Pin1 protein were also discussed.

In vitro screening, homology modeling and molecular docking studies of some pyrazole and imidazole derivatives

2018 ◽  
Vol 103 ◽  
pp. 653-661 ◽  
Author(s):  
Farid Abrigach ◽  
Yahya Rokni ◽  
Abdelilah Takfaoui ◽  
Mohamed Khoutoul ◽  
Henri Doucet ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Homology Modeling ◽  
Docking Studies ◽  
In Vitro Screening ◽  
Molecular Docking Studies ◽  
Imidazole Derivatives

scholarly journals Pyrazolobenzothiazine-based carbothioamides as new structural leads for the inhibition of monoamine oxidases: design, synthesis, in vitro bioevaluation and molecular docking studies

MedChemComm ◽  
2017 ◽  
Vol 8 (2) ◽  
pp. 452-464 ◽  
Author(s):  
Syed Mobasher Ali Abid ◽  
Sana Aslam ◽  
Sumera Zaib ◽  
Syeda Mahwish Bakht ◽  
Matloob Ahmad ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Active Site ◽  
Potent Inhibitor ◽  
Binding Mode ◽  
Docking Studies ◽  
Design Synthesis ◽  
Molecular Docking Studies ◽  
Monoamine Oxidases ◽  
Mao B

Binding mode of potent inhibitor (green) & cognate ligand (pink) in the active site of MAO-B.

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