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

Assem Barakat; Hazem A. Ghabbour; Abdullah Mohammed Al-Majid; Saied M. Soliman; M. Ali; Yahia Nasser Mabkhot; Mohammed Rafi Shaik; Hoong-Kun Fun

doi:10.3390/molecules200713240

Molecules (Jul 2015)

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

Assem Barakat,
Hazem A. Ghabbour,
Abdullah Mohammed Al-Majid,
Saied M. Soliman,
M. Ali,
Yahia Nasser Mabkhot,
Mohammed Rafi Shaik,
Hoong-Kun Fun

Affiliations

Assem Barakat: Department of Chemistry, College of Science, King Saud University, P. O. Box 2455, Riyadh-11451, Saudi Arabia
Hazem A. Ghabbour: Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, P. O. Box 2457, Riyadh 11451, Saudi Arabia
Abdullah Mohammed Al-Majid: Department of Chemistry, College of Science, King Saud University, P. O. Box 2455, Riyadh-11451, Saudi Arabia
Saied M. Soliman: Department of Chemistry, Rabigh College of Science and Art, King Abdulaziz University, P. O. Box 344, Rabigh 21911, Saudi Arabia
M. Ali: Department of Chemistry, College of Science, King Saud University, P. O. Box 2455, Riyadh-11451, Saudi Arabia
Yahia Nasser Mabkhot: Department of Chemistry, College of Science, King Saud University, P. O. Box 2455, Riyadh-11451, Saudi Arabia
Mohammed Rafi Shaik: Department of Chemistry, College of Science, King Saud University, P. O. Box 2455, Riyadh-11451, Saudi Arabia
Hoong-Kun Fun: Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, P. O. Box 2457, Riyadh 11451, Saudi Arabia

DOI: https://doi.org/10.3390/molecules200713240
Journal volume & issue: Vol. 20, no. 7
pp. 13240 – 13263

Abstract

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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.

Published in Molecules

ISSN: 1420-3049 (Online)
Publisher: MDPI AG
Country of publisher: Switzerland
LCC subjects: Science: Chemistry: Organic chemistry
Website: http://www.mdpi.com/journal/molecules

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