Synthesis, Spectroscopic Investigations (X-ray, NMR and TD-DFT), Antimicrobial Activity and Molecular Docking of 2,6-Bis(hydroxy(phenyl)methyl)cyclohexanone

The synthesis of 2,6-bis(hydroxy(phenyl)methyl)cyclohexanone 1 is described. The molecular structure of the title compound 1 was confirmed by NMR, FT-IR, MS, CHN microanalysis, and X-ray crystallography. The molecular structure was also investigated by a set of computational studies and found to be...

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Autores principales: Barakat, Assem, Ghabbour, Hazem A., Al-Majid, Abdullah Mohammed, Soliman, Saied M., Ali, M., Mabkhot, Yahia Nasser, Shaik, Mohammed Rafi, Fun, Hoong-Kun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2015
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6332055/
https://www.ncbi.nlm.nih.gov/pubmed/26197312
http://dx.doi.org/10.3390/molecules200713240
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author Barakat, Assem
Ghabbour, Hazem A.
Al-Majid, Abdullah Mohammed
Soliman, Saied M.
Ali, M.
Mabkhot, Yahia Nasser
Shaik, Mohammed Rafi
Fun, Hoong-Kun
author_facet Barakat, Assem
Ghabbour, Hazem A.
Al-Majid, Abdullah Mohammed
Soliman, Saied M.
Ali, M.
Mabkhot, Yahia Nasser
Shaik, Mohammed Rafi
Fun, Hoong-Kun
author_sort Barakat, Assem
collection PubMed
description The synthesis of 2,6-bis(hydroxy(phenyl)methyl)cyclohexanone 1 is described. The molecular structure of the title compound 1 was confirmed by NMR, FT-IR, MS, CHN microanalysis, and X-ray crystallography. The molecular structure was also investigated by a set of computational studies and found to be in good agreement with the experimental data obtained from the various spectrophotometric techniques. The antimicrobial activity and molecular docking of the synthesized compound was investigated.
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spelling pubmed-63320552019-01-24 Synthesis, Spectroscopic Investigations (X-ray, NMR and TD-DFT), Antimicrobial Activity and Molecular Docking of 2,6-Bis(hydroxy(phenyl)methyl)cyclohexanone Barakat, Assem Ghabbour, Hazem A. Al-Majid, Abdullah Mohammed Soliman, Saied M. Ali, M. Mabkhot, Yahia Nasser Shaik, Mohammed Rafi Fun, Hoong-Kun Molecules Article The synthesis of 2,6-bis(hydroxy(phenyl)methyl)cyclohexanone 1 is described. The molecular structure of the title compound 1 was confirmed by NMR, FT-IR, MS, CHN microanalysis, and X-ray crystallography. The molecular structure was also investigated by a set of computational studies and found to be in good agreement with the experimental data obtained from the various spectrophotometric techniques. The antimicrobial activity and molecular docking of the synthesized compound was investigated. MDPI 2015-07-21 /pmc/articles/PMC6332055/ /pubmed/26197312 http://dx.doi.org/10.3390/molecules200713240 Text en © 2015 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Barakat, Assem
Ghabbour, Hazem A.
Al-Majid, Abdullah Mohammed
Soliman, Saied M.
Ali, M.
Mabkhot, Yahia Nasser
Shaik, Mohammed Rafi
Fun, Hoong-Kun
Synthesis, Spectroscopic Investigations (X-ray, NMR and TD-DFT), Antimicrobial Activity and Molecular Docking of 2,6-Bis(hydroxy(phenyl)methyl)cyclohexanone
title Synthesis, Spectroscopic Investigations (X-ray, NMR and TD-DFT), Antimicrobial Activity and Molecular Docking of 2,6-Bis(hydroxy(phenyl)methyl)cyclohexanone
title_full Synthesis, Spectroscopic Investigations (X-ray, NMR and TD-DFT), Antimicrobial Activity and Molecular Docking of 2,6-Bis(hydroxy(phenyl)methyl)cyclohexanone
title_fullStr Synthesis, Spectroscopic Investigations (X-ray, NMR and TD-DFT), Antimicrobial Activity and Molecular Docking of 2,6-Bis(hydroxy(phenyl)methyl)cyclohexanone
title_full_unstemmed Synthesis, Spectroscopic Investigations (X-ray, NMR and TD-DFT), Antimicrobial Activity and Molecular Docking of 2,6-Bis(hydroxy(phenyl)methyl)cyclohexanone
title_short Synthesis, Spectroscopic Investigations (X-ray, NMR and TD-DFT), Antimicrobial Activity and Molecular Docking of 2,6-Bis(hydroxy(phenyl)methyl)cyclohexanone
title_sort synthesis, spectroscopic investigations (x-ray, nmr and td-dft), antimicrobial activity and molecular docking of 2,6-bis(hydroxy(phenyl)methyl)cyclohexanone
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6332055/
https://www.ncbi.nlm.nih.gov/pubmed/26197312
http://dx.doi.org/10.3390/molecules200713240
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