Synthesis, computational studies and biological evaluation of new 1-acetyl-3-aryl thiourea derivatives as potent cholinesterase inhibitors

2017 ◽  
Vol 26 (8) ◽  
pp. 1635-1646 ◽  
Author(s):  
Aamer Saeed ◽  
Muhammad Shakil Shah ◽  
Fayaz Ali Larik ◽  
Shafi Ullah Khan ◽  
Pervaiz Ali Channar ◽  
...  
Keyword(s):  
Cholinesterase Inhibitors ◽  
Biological Evaluation ◽  
Computational Studies ◽  
Thiourea Derivatives

scholarly journals Design, Synthesis, Biological Evaluation, and Computational Studies of Novel Tri-Aryl Imidazole-Benzene Sulfonamide Hybrids as Promising Selective Carbonic Anhydrase IX and XII Inhibitors

Molecules ◽  
2021 ◽  
Vol 26 (16) ◽  
pp. 4718
Author(s):  
Lamya H. Al-Wahaibi ◽  
Bahaa G. M. Youssif ◽  
Ehab S. Taher ◽  
Ahmed H. Abdelazeem ◽  
Antar A. Abdelhamid ◽  
...  
Keyword(s):  
Proliferative Activity ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Selectivity Ratio ◽  
Computational Studies ◽  
Design Synthesis ◽  
Ca Ix ◽  
Side Pocket ◽  
Modelling Simulation ◽  
Good Agreement

A novel series of tri-aryl imidazole derivatives 5a–n carrying benzene sulfonamide moiety has been designed for their selective inhibitory against hCA IX and XII activity. Six compounds were found to be potent and selective CA IX inhibitors with the order of 5g > 5b > 5d > 5e > 5g > 5n (Ki = 0.3–1.3 μM, and selectivity ratio for hCA IX over hCA XII = 5–12) relative to acetazolamide (Ki = 0.03 μM, and selectivity ratio for hCA IX over hCA XII = 0.20). The previous sixth inhibitors have been further investigated for their anti-proliferative activity against four different cancer cell lines using MTT assay. Compounds 5g and 5b demonstrated higher antiproliferative activity than other tested compounds (with GI50 = 2.3 and 2.8 M, respectively) in comparison to doxorubicin (GI50 = 1.1 M). Docking studies of these two compounds adopted orientation and binding interactions with a higher liability to enter the active side pocket CA-IX selectively similar to that of ligand 9FK. Molecular modelling simulation showed good agreement with the acquired biological evaluation.

scholarly journals Synthesis, Biological Evaluation and Molecular Docking Study of Hydrazone-Containing Pyridinium Salts as Cholinesterase Inhibitors

2016 ◽  
Vol 64 (9) ◽  
pp. 1281-1287 ◽  
Author(s):  
Sulunay Parlar ◽  
Gulsah Bayraktar ◽  
Ayse Hande Tarikogullari ◽  
Vildan Alptüzün ◽  
Ercin Erciyas
Keyword(s):  
Molecular Docking ◽  
Cholinesterase Inhibitors ◽  
Docking Study ◽  
Biological Evaluation ◽  
Pyridinium Salts ◽  
Molecular Docking Study

New coumarin-pyrazole hybrids: Synthesis, docking studies and biological evaluation as potential cholinesterase inhibitors

2021 ◽  
pp. 131591
Author(s):  
Amina Benazzouz-Touami ◽  
Amina Chouh ◽  
Sabrina Halit ◽  
Souhila Terrachet-Bouaziz ◽  
Malika Makhloufi-Chebli ◽  
...  
Keyword(s):  
Cholinesterase Inhibitors ◽  
Docking Studies ◽  
Biological Evaluation

Ultrasound promoted synthesis, characterization and computational studies of some thiourea derivatives

2020 ◽  
Vol 1216 ◽  
pp. 128302
Author(s):  
Felix Odame ◽  
Eric C. Hosten ◽  
Kevin Lobb ◽  
Zenixole Tshentu
Keyword(s):  
Computational Studies ◽  
Thiourea Derivatives

Design, synthesis, biological evaluation, and molecular dynamics of novel cholinesterase inhibitors as anti‐Alzheimer's agents

2019 ◽  
Vol 352 (7) ◽  
pp. 1800352 ◽  
Author(s):  
Reza Shamsimeymandi ◽  
Yaghoub Pourshojaei ◽  
Khalil Eskandari ◽  
Maryam Mohammadi‐Khanaposhtani ◽  
Ardavan Abiri ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Cholinesterase Inhibitors ◽  
Biological Evaluation ◽  
Design Synthesis

Synthesis, biological evaluation and in silico study of bis-thiourea derivatives as anticancer, antimalarial and antimicrobial agents

2017 ◽  
Vol 26 (12) ◽  
pp. 3136-3148 ◽  
Author(s):  
Ratchanok Pingaew ◽  
Nujarin Sinthupoom ◽  
Prasit Mandi ◽  
Veda Prachayasittikul ◽  
Rungrot Cherdtrakulkiat ◽  
...  
Keyword(s):  
In Silico ◽  
Antimicrobial Agents ◽  
Biological Evaluation ◽  
Thiourea Derivatives ◽  
In Silico Study
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