The 5th Iranian conference on Bioinformatics , 2014-05-20

Title : ( Design, synthesis and SAR studies of new methyl chavicol derivatives as potent 15-lipoxygenase inhibitors )

Authors: Neda Attaran Kakhki , Hossein Eshghi , Seyed Mohammad Seyedi , Hamid Sadeghian ,

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Two different groups of organic compounds were designed, synthesized and evaluated as potential inhibitors of soybean 15-lipoxygenase (SLO) on the basis of eugenol and esteragol structures. All compounds were docked in SLO active site. It is showed that carbonyl group of ester derivatives are oriented toward the FeIII-OH moiety in the active site of enzyme and fixed by hydrogen bonding with hydroxyl group. About ether derivatives, it seems that allyl group of compounds is oriented toward the iron atom in the active site of enzyme. On the other hand, in the both cases of esters and ethers, it is assumed that lipophilic interaction of ligand-enzyme would be in charge of inhibiting the enzyme activity.

Keywords

, Molecular docking; SAR studies; inhibitory assessment; 15, lipoxygenase
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@inproceedings{paperid:1041542,
author = {Attaran Kakhki, Neda and Eshghi, Hossein and Seyedi, Seyed Mohammad and Hamid Sadeghian},
title = {Design, synthesis and SAR studies of new methyl chavicol derivatives as potent 15-lipoxygenase inhibitors},
booktitle = {The 5th Iranian conference on Bioinformatics},
year = {2014},
location = {تهران, IRAN},
keywords = {Molecular docking; SAR studies; inhibitory assessment; 15-lipoxygenase inhibitores},
}

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%0 Conference Proceedings
%T Design, synthesis and SAR studies of new methyl chavicol derivatives as potent 15-lipoxygenase inhibitors
%A Attaran Kakhki, Neda
%A Eshghi, Hossein
%A Seyedi, Seyed Mohammad
%A Hamid Sadeghian
%J The 5th Iranian conference on Bioinformatics
%D 2014

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