scholarly journals Novel substituted oxadiazole - piperazine derivatives as potential MAO inhibitors: Design, synthesis, in vitro and in silico studies

2022 ◽  
Vol 26(1) (26(1)) ◽  
pp. 1037-1044
Author(s):  
Harun USLU ◽  
Begüm Nurpelin SAĞLIK ◽  
Derya OSMANİYE ◽  
Kadriye BENKLİ
Keyword(s):  
In Silico ◽  
Mao Inhibitors ◽  
Design Synthesis ◽  
Piperazine Derivatives ◽  
In Silico Studies

Design, Synthesis, In Vitro, and In Silico Studies of 1,2,4-Triazole-Piperazine Hybrid Derivatives as Potential MAO Inhibitors

2021 ◽  
pp. 105430
Author(s):  
Harun USLU ◽  
Derya OSMANİYE ◽  
Begüm Nurpelin SAĞLIK ◽  
Serkan LEVENT ◽  
Yusuf ÖZKAY ◽  
...  
Keyword(s):  
In Silico ◽  
Mao Inhibitors ◽  
Design Synthesis ◽  
In Silico Studies

scholarly journals Design, Synthesis, In Vitro and In Silico Studies of New Thiazolylhydrazine-Piperazine Derivatives as Selective MAO-A Inhibitors

Molecules ◽  
2020 ◽  
Vol 25 (18) ◽  
pp. 4342
Author(s):  
Begüm Nurpelin Sağlık ◽  
Osman Cebeci ◽  
Ulviye Acar Çevik ◽  
Derya Osmaniye ◽  
Serkan Levent ◽  
...  
Keyword(s):  
Enzyme Inhibition ◽  
In Silico ◽  
Drug Targets ◽  
Binding Property ◽  
Spectroscopic Techniques ◽  
Design Synthesis ◽  
Piperazine Derivatives ◽  
In Silico Studies ◽  
Mao A

Monoamine oxidase (MAO) isoenzymes are very important drug targets among neurological disorders. Herein, novel series of thiazolylhydrazine-piperazine derivatives were designed, synthesized and evaluated for their MAO-A and -B inhibitory activity. The structures of the synthesized compounds were assigned using different spectroscopic techniques such as 1H-NMR, 13C-NMR and HRMS. Moreover, the prediction of ADME (Absorption, Distribution, Metabolism, Elimination) parameters for all of the compounds were performed using in silico method. According to the enzyme inhibition results, the synthesized compounds showed the selectivity against MAO-A enzyme inhibition. Compounds 3c, 3d and 3e displayed significant MAO-A inhibition potencies. Among them, compound 3e was found to be the most effective derivative with an IC50 value of 0.057 ± 0.002 µM. Moreover, it was seen that this compound has a more potent inhibition profile than the reference inhibitors moclobemide (IC50 = 6.061 ± 0.262 µM) and clorgiline (IC50 = 0.062 ± 0.002 µM). In addition, the enzyme kinetics were performed for compound 3e and it was determined that this compound had a competitive and reversible inhibition type. Molecular modeling studies aided in the understanding of the interaction modes between this compound and MAO-A. It was found that compound 3e had significant and important binding property.

Design, Synthesis, In Vitro and In Silico Studies of Some Novel Thiazole-Dihyrofuran Derivatives as Aromatase Inhibitors

2021 ◽  
pp. 105123
Author(s):  
Derya Osmaniye ◽  
Şennur Görgülü ◽  
Begum Nurpelin Saglik ◽  
Serkan Levent ◽  
Yusuf Ozkay ◽  
...  
Keyword(s):  
Aromatase Inhibitors ◽  
In Silico ◽  
Design Synthesis ◽  
In Silico Studies

scholarly journals Design, synthesis, in silico studies and in vitro evaluation of isatin-pyridine oximes hybrids as novel acetylcholinesterase reactivators

2021 ◽  
Vol 36 (1) ◽  
pp. 1370-1377
Author(s):  
Daniel A. S. Kitagawa ◽  
Rafael B. Rodrigues ◽  
Thiago N. Silva ◽  
Wellington V. dos Santos ◽  
Vinicius C. V. da Rocha ◽  
...  
Keyword(s):  
In Silico ◽  
Design Synthesis ◽  
In Vitro Evaluation ◽  
In Silico Studies ◽  
Acetylcholinesterase Reactivators

Design, Synthesis, In Vitro and In Silico Studies of Some Novel Triazoles as Anticancer Agents for Breast Cancer

2021 ◽  
pp. 131198
Author(s):  
Derya Osmaniye ◽  
Begum Nurpelin Saglik ◽  
Serkan Levent ◽  
Sinem Ilgın ◽  
Yusuf Ozkay ◽  
...  
Keyword(s):  
Breast Cancer ◽  
Anticancer Agents ◽  
In Silico ◽  
Design Synthesis ◽  
In Silico Studies

Design, synthesis, in-vitro, in-vivo and in-silico studies of pyrrolidine-2,5-dione derivatives as multitarget anti-inflammatory agents

2020 ◽  
Vol 186 ◽  
pp. 111863 ◽  
Author(s):  
Muhammad Saeed Jan ◽  
Sajjad Ahmad ◽  
Fida Hussain ◽  
Ashfaq Ahmad ◽  
Fawad Mahmood ◽  
...  
Keyword(s):  
In Silico ◽  
Design Synthesis ◽  
In Silico Studies ◽  
Anti Inflammatory

Design, synthesis, in vitro and in silico studies of 2, 3-diaryl benzofuran derivatives as antitubercular agents

2020 ◽  
Vol 99 ◽  
pp. 103784
Author(s):  
Balakishan Bhukya ◽  
Aparna Shukla ◽  
Vinita Chaturvedi ◽  
Priyanka Trivedi ◽  
Shailesh Kumar ◽  
...  
Keyword(s):  
In Silico ◽  
Antitubercular Agents ◽  
Design Synthesis ◽  
In Silico Studies

Design, synthesis, in vitro, and in silico studies of novel diarylimidazole-1,2,3-triazole hybrids as potent α-glucosidase inhibitors

2019 ◽  
Vol 27 (23) ◽  
pp. 115148 ◽  
Author(s):  
Mina Saeedi ◽  
Maryam Mohammadi-Khanaposhtani ◽  
Mohammad Sadegh Asgari ◽  
Nafiseh Eghbalnejad ◽  
Somaye Imanparast ◽  
...  
Keyword(s):  
In Silico ◽  
Design Synthesis ◽  
Glucosidase Inhibitors ◽  
In Silico Studies

Benzenesulfonohydrazides inhibiting urease: Design, synthesis, their in vitro and in silico studies

2020 ◽  
Vol 1220 ◽  
pp. 128740 ◽  
Author(s):  
Mahmood Ahmed ◽  
Muhammad Imran ◽  
Muhammad Muddassar ◽  
Riaz Hussain ◽  
Muhammad Usman Khan ◽  
...  
Keyword(s):  
In Silico ◽  
Design Synthesis ◽  
In Silico Studies
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