Synthesis, characterization, preliminary SAR and molecular docking study of some novel substituted imidazo[2,1-b][1,3,4]thiadiazole derivatives as antifungal agents

2017 ◽  
Vol 26 (3) ◽  
pp. 615-630 ◽  
Author(s):  
Mustafa Er ◽  
Buğracan Ergüven ◽  
Hakan Tahtaci ◽  
Abdurrahman Onaran ◽  
Tuncay Karakurt ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Antifungal Agents ◽  
Docking Study ◽  
Molecular Docking Study ◽  
Thiadiazole Derivatives

Synthesis of oxadiazole-coupled-thiadiazole derivatives as a potent β-glucuronidase inhibitors and their molecular docking study

2019 ◽  
Vol 27 (14) ◽  
pp. 3145-3155 ◽  
Author(s):  
Muhammad Taha ◽  
Syahrul Imran ◽  
Munther Alomari ◽  
Fazal Rahim ◽  
Abdul Wadood ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Study ◽  
Molecular Docking Study ◽  
Thiadiazole Derivatives

Synthesis, Molecular Docking and Biological Evaluation of 2- Mercaptomidazoles using Solid Phase Synthesis

2019 ◽  
Vol 22 (2) ◽  
pp. 89-96
Author(s):  
Nidhi Rani ◽  
Praveen Kumar ◽  
Randhir Singh
Keyword(s):  
Molecular Docking ◽  
Antifungal Agents ◽  
Solid Phase ◽  
Fungal Infections ◽  
Phenyl Group ◽  
Docking Study ◽  
Biological Evaluation ◽  
Spectral Studies ◽  
Molecular Docking Study ◽  
Study Results

Background: With the increasing resistance and side effects caused due to antifungal agents there is an urgent need for the new potent antifungal agents with low toxicity profile. Imidazoles have been used against fungal infections since long time. Further, our previous studies demonstrated that mercaptoimidazoles possessed good antifungal potency. Aim and Objective: This study was aimed to study the antifungal potency of new series of 2- mercaptoimidazoles. Materials and Methods: Eighteen new 2-mercaptoimidazoles containing substituted phenyl group were synthesized and structures of the synthesized compounds were characterized by spectral studies. The synthesized compounds were screened for their antifungal potency. Compound 2-(1-(3-hydroxyphenyl)-2- mercapto-1H-imidazol-4-yl)phenol was found to be the most potent compound among all synthesized compounds against tested fungal strains. Moreover, all the synthesized compounds were further subjected to molecular docking study for the inhibition of enzyme 14α-demethylase. Results: The in-silico molecular docking study results showed that all the synthesized compounds have minimum binding energy and good affinity for the active site and may be considered as good inhibitor of 14α-demethylase. Conclusion: 2-mercaptoimidazoles may be used as potential lead molecules as 14α-demethylase inhibitors.

Sign in / Sign up

Export Citation Format

Share Document