About: Virtual screening, ADMET profiling, molecular docking and dynamics approaches to search for potent selective natural molecule based inhibitors against metallothionein-III to study Alzheimer's disease

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About: Virtual screening, ADMET profiling, molecular docking and dynamics approaches to search for potent selective natural molecule based inhibitors against metallothionein-III to study Alzheimer's disease Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Metallothionein-III (MT-III) displays neuro-inhibitory activity and is involved in the repair of neuronal damage. An altered expression level of MT-III suggests that it could be a mitigating factor in Alzheimer's disease (AD) neuronal dysfunction. Currently there are limited marketed drugs available against MT-III. The inhibitors are mostly pseudo-peptide based with limited ADMET. In our present study, available database InterBioScreen (natural compounds) was screened out for MT-III. Pharmacodynamics and pharmacokinetic studies were performed. Molecular docking and simulations of top hit molecules were performed to study complex stability. Metallothionein-III (MT-III) displays neuro-inhibitory activity and is involved in the repair of neuronal damage. An altered expression level of MT-III suggests that it could be a mitigating factor in Alzheimer's disease (AD) neuronal dysfunction. Currently there are limited marketed drugs available against MT-III. The inhibitors are mostly pseudo-peptide based with limited ADMET. In our present study, available database InterBioScreen (natural compounds) was screened out for MT-III. Pharmacodynamics and pharmacokinetic studies were performed. Molecular docking and simulations of top hit molecules were performed to study complex stability. (en)
Title	Virtual screening, ADMET profiling, molecular docking and dynamics approaches to search for potent selective natural molecule based inhibitors against metallothionein-III to study Alzheimer's disease Virtual screening, ADMET profiling, molecular docking and dynamics approaches to search for potent selective natural molecule based inhibitors against metallothionein-III to study Alzheimer's disease (en)
skos:prefLabel	Virtual screening, ADMET profiling, molecular docking and dynamics approaches to search for potent selective natural molecule based inhibitors against metallothionein-III to study Alzheimer's disease Virtual screening, ADMET profiling, molecular docking and dynamics approaches to search for potent selective natural molecule based inhibitors against metallothionein-III to study Alzheimer's disease (en)
skos:notation	RIV/00216305:26220/14:PU111010!RIV15-MSM-26220___
http://linked.open...avai/riv/aktivita	P S
http://linked.open...avai/riv/aktivity	P(EE2.3.30.0039), P(GAP102/11/1068), S
http://linked.open...vai/riv/dodaniDat	2015
http://linked.open...aciTvurceVysledku	Provazník, Ivo Roy, Sudeep
http://linked.open.../riv/druhVysledku	D - Článek ve sborníku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Vysoké učení technické v Brně / Fakulta elektrotechniky a komunikačních technologií
http://linked.open...dnocenehoVysledku	53448
http://linked.open...ai/riv/idVysledku	RIV/00216305:26220/14:PU111010
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Alzheimer's disease, Metallothionein-III, Virtual Screening, ADMET, Molecular Dynamics (en)
http://linked.open.../riv/klicoveSlovo	Molecular Dynamics Alzheimer's disease ADMET Metallothionein-III Virtual Screening
http://linked.open...ontrolniKodProRIV	[F6F5EC854CD3]
http://linked.open...v/mistoKonaniAkce	Belfast
http://linked.open...i/riv/mistoVydani	Belfast, United Kingdom
http://linked.open...i/riv/nazevZdroje	Proceedings IEEE International Conference on Bioinformatics and Biomedicine (BIBM)
http://linked.open...in/vavai/riv/obor	CE
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	Excellent young researcher at BUT Nano-Electro-Bio-Tools for Biochemical and Molecularly-Biological Studies of Eukaryotic Cells (NanoBioTECell)
http://linked.open...UplatneniVysledku	2014
http://linked.open...iv/tvurceVysledku	Provazník, Ivo Roy, Sudeep Kumar, Akhil
http://linked.open...vavai/riv/typAkce	WRD - Světová
http://linked.open.../riv/zahajeniAkce	2014-11-02 (xsd:date)
number of pages	5 (xsd:int)
http://purl.org/ne...btex#hasPublisher	IEEE
https://schema.org/isbn	978-1-4799-5669-2
http://localhost/t...ganizacniJednotka	26220

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