3D-QSAR pharmacophore modelling, virtual screening and docking studies for lead discovery of a novel scaffold for VEGFR 2 inhibitors: Design, synthesis and biological evaluation

2019 ◽  
Vol 89 ◽  
pp. 102988 ◽  
Author(s):  
Mahitab K. Sobhy ◽  
Samar Mowafy ◽  
Deena S. Lasheen ◽  
Nahla A. Farag ◽  
Khaled A.M. Abouzid
Keyword(s):  
Virtual Screening ◽  
3D Qsar ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Lead Discovery ◽  
Design Synthesis ◽  
Pharmacophore Modelling ◽  
Novel Scaffold ◽  
Synthesis And Biological Evaluation

scholarly journals Design, synthesis, and biological evaluation of new 6,N2-diaryl-1,3,5-triazine-2,4-diamines as anticancer agents selectively targeting triple negative breast cancer cells

RSC Advances ◽  
2020 ◽  
Vol 10 (43) ◽  
pp. 25517-25528
Author(s):  
Ahmad Junaid ◽  
Felicia Phei Lin Lim ◽  
Edward R. T. Tiekink ◽  
Anton V. Dolzhenko
Keyword(s):  
Breast Cancer ◽  
Triple Negative Breast Cancer ◽  
Anticancer Agents ◽  
Breast Cancer Cells ◽  
Triple Negative ◽  
3D Qsar ◽  
Qsar Model ◽  
Biological Evaluation ◽  
Design Synthesis ◽  
Synthesis And Biological Evaluation

New highly potent and selective 6,N2-diaryl-1,3,5-triazine-2,4-diamines were designed and prepared using the 3D-QSAR model developed earlier.

scholarly journals Design, synthesis and biological evaluation of small molecule inhibitors of CD4-gp120 binding based on virtual screening

2011 ◽  
Vol 19 (1) ◽  
pp. 91-101 ◽  
Author(s):  
Judith M. LaLonde ◽  
Mark A. Elban ◽  
Joel R. Courter ◽  
Akihiro Sugawara ◽  
Takahiro Soeta ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Small Molecule ◽  
Small Molecule Inhibitors ◽  
Biological Evaluation ◽  
Design Synthesis ◽  
Gp120 Binding ◽  
Synthesis And Biological Evaluation

scholarly journals Design, Synthesis and Biological Evaluation of New Piperazin-4-yl-(acetyl-thiazolidine-2,4-dione) Norfloxacin Analogues as Antimicrobial Agents

Molecules ◽  
2019 ◽  
Vol 24 (21) ◽  
pp. 3959 ◽  
Author(s):  
Marc ◽  
Araniciu ◽  
Oniga ◽  
Vlase ◽  
Pîrnău ◽  
...  
Keyword(s):  
Antimicrobial Activity ◽  
Antimicrobial Agents ◽  
Binding Mode ◽  
Biological Properties ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Bacterial Strains ◽  
Design Synthesis ◽  
Parent Molecule ◽  
Synthesis And Biological Evaluation

 In an effort to improve the antimicrobial activity of norfloxacin, a series of hybrid norfloxacin–thiazolidinedione molecules were synthesized and screened for their direct antimicrobial activity and their anti-biofilm properties. The new hybrids were intended to have a new binding mode to DNA gyrase, that will allow for a more potent antibacterial effect, and for activity against current quinolone-resistant bacterial strains. Moreover, the thiazolidinedione moiety aimed to include additional anti-pathogenicity by preventing biofilm formation. The resulting compounds showed promising direct activity against Gram-negative strains, and anti-biofilm activity against Gram-positive strains. Docking studies and ADMET were also used in order to explain the biological properties and revealed some potential advantages over the parent molecule norfloxacin.

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