New pyrazolo-triazolo-pyrimidine derivatives as antibacterial agents: Design and synthesis, molecular docking and DFT studies

2020 ◽  
Vol 1199 ◽  
pp. 127007 ◽  
Author(s):  
Mabrouk Horchani ◽  
Amel Hajlaoui ◽  
Abdel Halim Harrath ◽  
Lamjed Mansour ◽  
Hichem Ben Jannet ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Antibacterial Agents ◽  
Dft Studies ◽  
Pyrimidine Derivatives ◽  
Design And Synthesis

Novel 1,3,5-triazine based pyrazole derivatives as potential antitumor agents and EFGR kinase inhibitors: Synthesis, cytotoxicity, DNA binding, molecular docking and DFT studies

2021 ◽  
Author(s):  
M. K. Prashanth ◽  
Raghu M.S ◽  
Pradeep Kumar C. B. ◽  
Yogesh Kumar K ◽  
Prathibha BS ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Growth Factor ◽  
Epidermal Growth Factor ◽  
Kinase Inhibitors ◽  
Antitumor Agents ◽  
Pyrazole Derivatives ◽  
Dft Studies ◽  
Design And Synthesis ◽  
Epidermal Growth ◽  
Potential Antitumor

We herein report a design and synthesis of new 1,3,5-triazine based pyrazole derivatives (5a-i) for anticancer activity targeting epidermal growth factor (EGFR) tyrosine kinase. The newly synthesized compounds were characterized...

Design and synthesis of new benzopyrimidinone derivatives: α-amylase inhibitory activity, molecular docking and DFT studies

2021 ◽  
Vol 1230 ◽  
pp. 129920
Author(s):  
Sarra Chortani ◽  
Mabrouk Horchani ◽  
Mansour Znati ◽  
Noureddine Issaoui ◽  
Hichem Ben Jannet ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Inhibitory Activity ◽  
Dft Studies ◽  
Design And Synthesis

Synthesis and molecular docking studies of novel pyrimidine derivatives as potential antibacterial agents

2019 ◽  
Vol 24 (4) ◽  
pp. 1165-1176
Author(s):  
Xue-Qian Bai ◽  
Chun-Shi Li ◽  
Ming-Yue Cui ◽  
Ze-Wen Song ◽  
Xing-Yu Zhou ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Antibacterial Agents ◽  
Docking Studies ◽  
Pyrimidine Derivatives ◽  
Molecular Docking Studies

Molecular docking and DFT studies of a series of tetrazole derivatives and computational studies of Fe3O4@Phenyl phosphate creatine

2021 ◽  
Vol 1238 ◽  
pp. 130389
Author(s):  
Farzane Pazoki ◽  
Razieh Esfandiarpour ◽  
Fatemeh Mohsenzadeh ◽  
Fahimeh Mohammadpanah ◽  
Akbar Heydari
Keyword(s):  
Molecular Docking ◽  
Computational Studies ◽  
Dft Studies ◽  
Phenyl Phosphate ◽  
Tetrazole Derivatives
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