Phosphorhydrazides as urease and acetylcholinesterase inhibitors: biological evaluation and QSAR study View Full Text


Ontology type: schema:ScholarlyArticle      Open Access: True


Article Info

DATE

2016-07

AUTHORS

Lida Asadi, Khodayar Gholivand, Karim Zare

ABSTRACT

New phosphorhydrazide compounds (1–7, 13, 15–16) and thiophosphorhydrazide (14 and 17) were synthesized and characterized by 31P, 13C, 1H NMR and IR spectroscopy. Furthermore, the crystal structure of compound (C6H5NH)(C6H5O)P(O)(NH–NH2) (2) was investigated. The activities of derivatives on acetylcholinesterase (AChE) and urease were determined. Quantitative structure–activity relationship (QSAR) was used to understand the relationship between molecular structural features and inhibitory. DFT–QSAR models for enzymes demonstrated the importance of ELUMO parameter in describing the anti-AChE and anti-urease activities of the synthesized compounds. The correlation matrix of QSAR models and docking analysis confirmed that electrophilicity descriptor can control the influence of the polarizability properties of N–H functional group of PAH derivatives in the inhibition of enzymes. More... »

PAGES

1213-1223

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/s13738-016-0836-8

DOI

http://dx.doi.org/10.1007/s13738-016-0836-8

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1049553953


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