Multicomponent Synthesis, DFT Calculations and Molecular Docking Studies of Novel Thiazolyl-Pyridazinones as Potential Antimicrobial Agents Against Antibiotic-Resistant Bacteria

2021 ◽  
pp. 130180
Author(s):  
Saraa Abu-Melha ◽  
Zeinab A. Muhammad ◽  
Amr S. Abouzid ◽  
Mastoura M. Edrees ◽  
Ahmed S. Abo Dena ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Dft Calculations ◽  
Antimicrobial Agents ◽  
Docking Studies ◽  
Resistant Bacteria ◽  
Multicomponent Synthesis ◽  
Antibiotic Resistant Bacteria ◽  
Antibiotic Resistant ◽  
Molecular Docking Studies

Microwave-Assisted One Pot Three-Component Synthesis of Novel Bioactive Thiazolyl-pyridazinediones As Potential Antimicrobial Agents against Antibiotic-Resistant Bacteria

2020 ◽  
Author(s):  
Saraa Abu-Melha ◽  
Sobhi Gomha ◽  
Amr Abouzid ◽  
Mastoura Edrees ◽  
Ahmed Abo Dena ◽  
...  
Keyword(s):  
Antimicrobial Agents ◽  
Biological Activities ◽  
Docking Studies ◽  
Resistant Bacteria ◽  
Multicomponent Synthesis ◽  
One Pot ◽  
Antibiotic Resistant ◽  
Naturally Occurring ◽  
High Efficient

Abstract Novel 2-thiazolyl-pyridazinedione derivatives were prepared via multicomponent synthesis under microwave irradiation as ecofriendly energy source and using the eco-friendly naturally occurring chitosan basic catalyst with high/efficient yields and short reaction time. All the prepared compounds were fully characterized by spectroscopic methods, and their in-vitro biological activities were investigated. The obtained results were compared with those of standard antibacterial/antifungal agents. DFT calculations and molecular docking studies were used to investigate the electronic properties and molecular interactions with specific microbial receptors.

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