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.

Synthesis, spectroscopic characterization, DFT calculations, and molecular docking studies of new unsymmetric bishydrazone derivatives

2021 ◽  
pp. 131224
Author(s):  
Yeliz Kaya ◽  
Ayşe Erçağ ◽  
Goncagül Serdaroğlu ◽  
Savaş Kaya ◽  
Igor Barden Grillo ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Dft Calculations ◽  
Spectroscopic Characterization ◽  
Docking Studies ◽  
Molecular Docking Studies

Synthesis, In Vitro Biological Evaluation, and Molecular Docking Studies of Novel Biphenyl Chalcone Derivatives as Antimicrobial Agents

2021 ◽  
pp. 1-14
Author(s):  
Serdar Burmaoglu ◽  
Elif Akin Kazancioglu ◽  
Mustafa Z. Kazancioglu ◽  
Mehmet Abdullah Alagoz ◽  
Aylin Dogen ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Antimicrobial Agents ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Molecular Docking Studies ◽  
Chalcone Derivatives

One‐pot synthesis of novel benzimidazoles with a naphthalene moiety as antimicrobial agents and molecular docking studies

2020 ◽  
Author(s):  
Ronak Haj Ersan ◽  
Ahmet Yuksel ◽  
Tugba Ertan‐Bolelli ◽  
Aylin Dogen ◽  
Serdar Burmaoglu ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Antimicrobial Agents ◽  
Docking Studies ◽  
One Pot ◽  
Molecular Docking Studies ◽  
One Pot Synthesis
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