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Synthesis and Bioinformatic Characterization of New Schiff Bases with Possible Applicability in Brain Disorders

(1) Background: The research aims to find new treatments for neurodegenerative diseases, in particular, Alzheimer’s disease. (2) Methods: This article presents a bioinformatics and pathology study of new Schiff bases, (EZ)-N′-benzylidene-(2RS)-2-(6-chloro-9H-carbazol-2-yl)propanehydrazide derivative...

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Autores principales: Avram, Speranta, Udrea, Ana Maria, Nuta, Diana Camelia, Limban, Carmen, Balea, Adrian Cosmin, Caproiu, Miron Teodor, Dumitrascu, Florea, Buiu, Cătălin, Bordei, Alexandra Teodora
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8307098/
https://www.ncbi.nlm.nih.gov/pubmed/34299440
http://dx.doi.org/10.3390/molecules26144160
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author Avram, Speranta
Udrea, Ana Maria
Nuta, Diana Camelia
Limban, Carmen
Balea, Adrian Cosmin
Caproiu, Miron Teodor
Dumitrascu, Florea
Buiu, Cătălin
Bordei, Alexandra Teodora
author_facet Avram, Speranta
Udrea, Ana Maria
Nuta, Diana Camelia
Limban, Carmen
Balea, Adrian Cosmin
Caproiu, Miron Teodor
Dumitrascu, Florea
Buiu, Cătălin
Bordei, Alexandra Teodora
author_sort Avram, Speranta
collection PubMed
description (1) Background: The research aims to find new treatments for neurodegenerative diseases, in particular, Alzheimer’s disease. (2) Methods: This article presents a bioinformatics and pathology study of new Schiff bases, (EZ)-N′-benzylidene-(2RS)-2-(6-chloro-9H-carbazol-2-yl)propanehydrazide derivatives, and aims to evaluate the drug-like, pharmacokinetic, pharmacodynamic and pharmacogenomic properties, as well as to predict the binding to therapeutic targets by applying bioinformatics, cheminformatics and computational pharmacological methods. (3) Results: We obtained these Schiff bases by condensing (2RS)-2-(6-chloro-9H-carbazol-2-yl)propanehydrazide with aromatic aldehydes, using the advantages of microwave irradiation. The newly synthesized compounds were characterized spectrally, using FT-IR and NMR spectroscopy, which confirmed their structure. Using bioinformatics tools, we noticed that all new compounds are drug-likeness features and may be proposed as potentially neuropsychiatric drugs (4) Conclusions: Using bioinformatics tools, we determined that the new compound 1e had a high potential to be used as a good candidate in neurodegenerative disorders treatment.
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spelling pubmed-83070982021-07-25 Synthesis and Bioinformatic Characterization of New Schiff Bases with Possible Applicability in Brain Disorders Avram, Speranta Udrea, Ana Maria Nuta, Diana Camelia Limban, Carmen Balea, Adrian Cosmin Caproiu, Miron Teodor Dumitrascu, Florea Buiu, Cătălin Bordei, Alexandra Teodora Molecules Article (1) Background: The research aims to find new treatments for neurodegenerative diseases, in particular, Alzheimer’s disease. (2) Methods: This article presents a bioinformatics and pathology study of new Schiff bases, (EZ)-N′-benzylidene-(2RS)-2-(6-chloro-9H-carbazol-2-yl)propanehydrazide derivatives, and aims to evaluate the drug-like, pharmacokinetic, pharmacodynamic and pharmacogenomic properties, as well as to predict the binding to therapeutic targets by applying bioinformatics, cheminformatics and computational pharmacological methods. (3) Results: We obtained these Schiff bases by condensing (2RS)-2-(6-chloro-9H-carbazol-2-yl)propanehydrazide with aromatic aldehydes, using the advantages of microwave irradiation. The newly synthesized compounds were characterized spectrally, using FT-IR and NMR spectroscopy, which confirmed their structure. Using bioinformatics tools, we noticed that all new compounds are drug-likeness features and may be proposed as potentially neuropsychiatric drugs (4) Conclusions: Using bioinformatics tools, we determined that the new compound 1e had a high potential to be used as a good candidate in neurodegenerative disorders treatment. MDPI 2021-07-08 /pmc/articles/PMC8307098/ /pubmed/34299440 http://dx.doi.org/10.3390/molecules26144160 Text en © 2021 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Avram, Speranta
Udrea, Ana Maria
Nuta, Diana Camelia
Limban, Carmen
Balea, Adrian Cosmin
Caproiu, Miron Teodor
Dumitrascu, Florea
Buiu, Cătălin
Bordei, Alexandra Teodora
Synthesis and Bioinformatic Characterization of New Schiff Bases with Possible Applicability in Brain Disorders
title Synthesis and Bioinformatic Characterization of New Schiff Bases with Possible Applicability in Brain Disorders
title_full Synthesis and Bioinformatic Characterization of New Schiff Bases with Possible Applicability in Brain Disorders
title_fullStr Synthesis and Bioinformatic Characterization of New Schiff Bases with Possible Applicability in Brain Disorders
title_full_unstemmed Synthesis and Bioinformatic Characterization of New Schiff Bases with Possible Applicability in Brain Disorders
title_short Synthesis and Bioinformatic Characterization of New Schiff Bases with Possible Applicability in Brain Disorders
title_sort synthesis and bioinformatic characterization of new schiff bases with possible applicability in brain disorders
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8307098/
https://www.ncbi.nlm.nih.gov/pubmed/34299440
http://dx.doi.org/10.3390/molecules26144160
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