New chalcone derivatives as potential antimicrobial and antioxidant agent

Abstract Seven chalcone derivatives were synthesized by the Claisen-Schmidt condensation. The structures of the compounds were confirmed by spectral data (Ultraviolet/visible, infrared, nuclear magnetic resonance and mass spectroscopy). The compounds were tested for their in silico and in vitro anti...

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Autores principales:	Emelda N. Okolo, David I. Ugwu, Benjamin E. Ezema, Joseph C. Ndefo, Florence U. Eze, Chidimma G. Ezema, James A. Ezugwu, Oguejiofo T. Ujam
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/0e1b0848605a4dd4a03ea813f064e5d7
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spelling	oai:doaj.org-article:0e1b0848605a4dd4a03ea813f064e5d72021-11-08T10:51:16ZNew chalcone derivatives as potential antimicrobial and antioxidant agent10.1038/s41598-021-01292-52045-2322https://doaj.org/article/0e1b0848605a4dd4a03ea813f064e5d72021-11-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-01292-5https://doaj.org/toc/2045-2322Abstract Seven chalcone derivatives were synthesized by the Claisen-Schmidt condensation. The structures of the compounds were confirmed by spectral data (Ultraviolet/visible, infrared, nuclear magnetic resonance and mass spectroscopy). The compounds were tested for their in silico and in vitro antimicrobial and antioxidant activities. The molecular docking assessments showed that all the compounds exhibited good binding affinity with the target microorganism proteins but, compounds 6e and 6g showed better binding affinity compared with the standards. The antimicrobial test revealed that all the compounds screened were active against Staphylococcus aureus and Bacillus subtilis and had minimum inhibitory concentrations (MIC) between 0.4 and 0.6 mg/mL. Compounds 6a, 6c and 6d had moderate activities on Salmonella typhi. Compounds 6b and 6c had moderate activity on Escherichia coli. Compound 6c had moderate activity on Aspergillus niger while compounds 6a and 6e had poor activity. All the compounds except compound 6e had no inhibition against Pseudomonas aeruginosa. The in-vitro antioxidant activity was assessed using ethylenediaminetetraacetate (EDTA) as the standard. Compounds 6c, 6e and 6g gave excellent inhibitory activity better than the standard. Compound 6a gave good activity at 500 μg/mL and 1000 μg/mL concentrations but, below the standard at 250 μg/mL and no inhibition at 125 μg/mL. Compound 6d had good inhibition at 500 μg/mL and 1000 μg/mL but, no inhibition at 125 μg/mL and 250 μg/mL. Compound 6b was found to be inactive in all the concentrations. Absorption, distribution, metabolism and excretion properties of the compounds were assessed using SwissADME. The results of lead likeness showed that compound 6e is a lead-like molecule.Emelda N. OkoloDavid I. UgwuBenjamin E. EzemaJoseph C. NdefoFlorence U. EzeChidimma G. EzemaJames A. EzugwuOguejiofo T. UjamNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-13 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Emelda N. Okolo David I. Ugwu Benjamin E. Ezema Joseph C. Ndefo Florence U. Eze Chidimma G. Ezema James A. Ezugwu Oguejiofo T. Ujam New chalcone derivatives as potential antimicrobial and antioxidant agent
description	Abstract Seven chalcone derivatives were synthesized by the Claisen-Schmidt condensation. The structures of the compounds were confirmed by spectral data (Ultraviolet/visible, infrared, nuclear magnetic resonance and mass spectroscopy). The compounds were tested for their in silico and in vitro antimicrobial and antioxidant activities. The molecular docking assessments showed that all the compounds exhibited good binding affinity with the target microorganism proteins but, compounds 6e and 6g showed better binding affinity compared with the standards. The antimicrobial test revealed that all the compounds screened were active against Staphylococcus aureus and Bacillus subtilis and had minimum inhibitory concentrations (MIC) between 0.4 and 0.6 mg/mL. Compounds 6a, 6c and 6d had moderate activities on Salmonella typhi. Compounds 6b and 6c had moderate activity on Escherichia coli. Compound 6c had moderate activity on Aspergillus niger while compounds 6a and 6e had poor activity. All the compounds except compound 6e had no inhibition against Pseudomonas aeruginosa. The in-vitro antioxidant activity was assessed using ethylenediaminetetraacetate (EDTA) as the standard. Compounds 6c, 6e and 6g gave excellent inhibitory activity better than the standard. Compound 6a gave good activity at 500 μg/mL and 1000 μg/mL concentrations but, below the standard at 250 μg/mL and no inhibition at 125 μg/mL. Compound 6d had good inhibition at 500 μg/mL and 1000 μg/mL but, no inhibition at 125 μg/mL and 250 μg/mL. Compound 6b was found to be inactive in all the concentrations. Absorption, distribution, metabolism and excretion properties of the compounds were assessed using SwissADME. The results of lead likeness showed that compound 6e is a lead-like molecule.
format	article
author	Emelda N. Okolo David I. Ugwu Benjamin E. Ezema Joseph C. Ndefo Florence U. Eze Chidimma G. Ezema James A. Ezugwu Oguejiofo T. Ujam
author_facet	Emelda N. Okolo David I. Ugwu Benjamin E. Ezema Joseph C. Ndefo Florence U. Eze Chidimma G. Ezema James A. Ezugwu Oguejiofo T. Ujam
author_sort	Emelda N. Okolo
title	New chalcone derivatives as potential antimicrobial and antioxidant agent
title_short	New chalcone derivatives as potential antimicrobial and antioxidant agent
title_full	New chalcone derivatives as potential antimicrobial and antioxidant agent
title_fullStr	New chalcone derivatives as potential antimicrobial and antioxidant agent
title_full_unstemmed	New chalcone derivatives as potential antimicrobial and antioxidant agent
title_sort	new chalcone derivatives as potential antimicrobial and antioxidant agent
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/0e1b0848605a4dd4a03ea813f064e5d7
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New chalcone derivatives as potential antimicrobial and antioxidant agent

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