Polycyclic Aromatic Compounds, Volume (42), No (9), Year (2021-8) , Pages (5882-5892)

Title : ( LaCl3⋅7H2O as an Effective Catalyst for the Synthesis of α-Aminophosphonates under Solvent-Free Conditions and Docking Simulation of Ligand Bond Complexes of Cyclin-Dependent Kinase 2 )

Authors: mehdi mirzaei , Hossein Eshghi , Reihaneh Sabbaghzadeh ,

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Abstract

The a-amino phosphonates find a wide spectrum of applications in medicinal, industrial, and agricultural chemistry. The most simple and straight forward synthetic technique for the formation of a-amino phosphonates is the Kabachnik–Fields reaction (an MCR) which involves the one-pot, threecomponent coupling of an aldehyde or ketone (carbonyl compound), amine and phosphite ester. The development of computational approaches as another tool for determining the features of chemicals has been a content of intensive research. In the current research, the AutoDock 4.0 package was employed for docking synthetic compounds into a protein, cyclindependent kinase 2 with the flexible side chain of TYR15. Cyclin-dependent kinase 2 (CDK2) is a member of an extremely conserved family of protein kinases that regulate the eukaryotic cell cycle. The lowest energy poses obtained in docking simulations of dimethyl ((4-nitrophenyl)(phenylamino)-methyl) phosphonate were attained with the CDK2 model. This inhibitor has investigated the chemical effects on conformational behavior of CDK2.

Keywords

, Phosphonates; LaCl3.7H2O; cyclin, dependent kinase 2; molecular docking
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@article{paperid:1085941,
author = {Mirzaei, Mehdi and Eshghi, Hossein and Reihaneh Sabbaghzadeh},
title = {LaCl3⋅7H2O as an Effective Catalyst for the Synthesis of α-Aminophosphonates under Solvent-Free Conditions and Docking Simulation of Ligand Bond Complexes of Cyclin-Dependent Kinase 2},
journal = {Polycyclic Aromatic Compounds},
year = {2021},
volume = {42},
number = {9},
month = {August},
issn = {1040-6638},
pages = {5882--5892},
numpages = {10},
keywords = {Phosphonates; LaCl3.7H2O; cyclin-dependent kinase 2; molecular docking},
}

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%0 Journal Article
%T LaCl3⋅7H2O as an Effective Catalyst for the Synthesis of α-Aminophosphonates under Solvent-Free Conditions and Docking Simulation of Ligand Bond Complexes of Cyclin-Dependent Kinase 2
%A Mirzaei, Mehdi
%A Eshghi, Hossein
%A Reihaneh Sabbaghzadeh
%J Polycyclic Aromatic Compounds
%@ 1040-6638
%D 2021

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