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RISDesign and Synthesis of Novel Series of 8-prenyloxy coumarin-3-Carboxylic acid as 15-Lipoxygenase Inhibitors
15-Lipoxygenases are one of the non hem iron-containing proteins with ability of unsaturated lipid peroxidation in animals and plants. The critical role of the enzymes in formation of inflammations, sensitivities and some ...
Functional characterisation of a WRKY transcription factor of wheat and its expression analysis during leaf rust pathogenesis
Synthesis and SAR comparative studies of 2-allyl-4-methoxy-1-alkoxybenzenes as 15-lipoxygenase inhibitors
concentration (IC50) for SLO inhibition (IC50 = 5.9 ± 0.6 µM). All the compounds were docked in the SLO active site retrieved from the Research Collaboratory for Structural Bioinformatics (RCSB) Protein Data Bank (PDB entry: 1IK3) and showed that the allyl group...
Study of engineered Taka Alpha Amylase by means of molecular
.5.3 package and gromos96 force field. Also, docking simulations
performed using autodock vina software package.
Results: O-Glycosyl hydrolases are a widespread group of enzymes
that hydrolyse the glycosidic bond between two or more...
An in-silico expression assay of the MAGE family in malignances
with corresponding ligands was assessment via molecular docking process.
The results of this study led to reveal the different expression of these antigens on the surface of cancers. However,
the MAGE-A4 showed the highest expression in the head...
An in-silico expression assay of the MAGE family in malignances
docking process. The results of this study led to revealed the different expression of these antigens on the surface of cancers. However, the MAGE-A4 showed the highest expression in the head and neck cancer. Moreover, topology features of this antigen...
Virtual screening of some heterocyclic structures toward novel antibacterial agents
Infectious diseases and their treatment are among the most important issues in
global health and economy. Moreover, increasing prevalence of antibioticresistant
pathogenic bacteria necessitates the considerable ...
Biological Evaluation and Docking Studies of 3,5-Bis ((5-bromo-6-methyl-2-taminopyrimidin-4-yl)thio)-4H-1,2,4-triazol-4-aminesas 15- Lipoxygenase Inhibitors
,biological evaluation and molecular docking studiesof new derivatives of 3,5-bis((5-bromo-6-methyl-2-t-aminopyrimidin-4-yl)thio)-4H-1,2,4-triazol-4amines 4a-g and their cyclized products pyrimidotriazolothiadiazines 5a-gas 15-LO inhibitors.Thein vitro evaluation...
Design, synthesis and biological evaluation of 6-(benzyloxy)-4-methylquinolin-2(1H)-one derivatives as PDE3 inhibitors
3 inhibitor) and its docking analysis results. The synthetic compounds showed better PDE3 inhibitory activity in comparison with vesnarinone. Using docking analysis, a common binding model of each compound toward PDE3 was suggested. In the next step...
Coupling molecular dynamics and docking simulations to identification ligand binding sites
of biomolecular systems. In this work, molecular
dynamics simulation along with docking was used to identification of ligand binding sites. Carbonic
Anhydrase enzyme- sodium dodecyl sulfate (SDS) complex was used as a case study. In molecular...