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Title: Design of new cholinesterases inhibitors by applying of molecular modeling techniques

Author:

Bajda, Marek

Date:

2010

Type:

Praca doktorska

Abstract:

Investigations within PhD thesis concerned design of new cholinesterases inhibitors as potential drugs in Alzheimer’s disease by applying of molecular modeling techniques. In the theoretical part the issues of Alzheimer’s disease were described. The special attention to cholinesterases as therapeutic targets was paid. Cholinesterases’ structure and inhibitors, used in the therapy of AD, were described. In the experimental part results of molecular modeling, joined with design of new cholinesterases inhibitors, were described. In the first step library of own compounds was prepared, basing on substances which were synthesized in the Department of Physicochemical Drug Analysis UJ and also planned for synthesis. A series of carbamates was obtained. Its activity was tested by Ellman’s method. Electrophoretically mediated microanalysis was evaluated as rapid method for determination of activity. Physicochemical and pharmacokinetic properties were predicted and structure - activity relationships were found. Interactions between compounds and AChE or BuChE were described. New cholinesterases inhibitors were designed. Compounds from ZINC database were under virtual screening with pharmacophores and docking procedure.

Place of publishing:

Kraków

Level of degree:

2 - studia doktoranckie

Degree discipline:

farmacja ; biochemia

Degree grantor:

Wydział Farmaceutyczny

Promoter:

Malawska, Barbara

Date issued:

2010

Identifier:

oai:dl.cm-uj.krakow.pl:816

Call number:

ZB-113593

Language:

pol; eng

Access rights:

tylko w bibliotece

Subject and keywords:

cholinesterases inhibitors Ellman’s method chemical synthesis molecular modeling electrophoretically mediated microanalysis

Object collections:

Last modified:

Mar 10, 2023

In our library since:

Nov 21, 2012

Number of object content hits:

39

Number of object content views in PDF format

0

All available object's versions:

http://dl.cm-uj.krakow.pl:8080/publication/816

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Edition name Date
ZB-113593 Mar 10, 2023

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