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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| Format: | Article |
| Language: | English |
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Nature Portfolio
2021-11-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-021-01292-5 |
| _version_ | 1818754145956397056 |
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| 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 |
| collection | DOAJ |
| 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. |
| first_indexed | 2024-12-18T05:18:36Z |
| format | Article |
| id | doaj.art-0e1b0848605a4dd4a03ea813f064e5d7 |
| institution | Directory Open Access Journal |
| issn | 2045-2322 |
| language | English |
| last_indexed | 2024-12-18T05:18:36Z |
| publishDate | 2021-11-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj.art-0e1b0848605a4dd4a03ea813f064e5d72022-12-21T21:19:43ZengNature PortfolioScientific Reports2045-23222021-11-0111111310.1038/s41598-021-01292-5New chalcone derivatives as potential antimicrobial and antioxidant agentEmelda N. Okolo0David I. Ugwu1Benjamin E. Ezema2Joseph C. Ndefo3Florence U. Eze4Chidimma G. Ezema5James A. Ezugwu6Oguejiofo T. Ujam7Department of Pure and Industrial Chemistry, University of NigeriaDepartment of Pure and Industrial Chemistry, University of NigeriaDepartment of Pure and Industrial Chemistry, University of NigeriaDepartment of Science Laboratory Technology, University of NigeriaDepartment of Pure and Industrial Chemistry, University of NigeriaNational Center for Energy Research and Development, University of NigeriaDepartment of Pure and Industrial Chemistry, University of NigeriaDepartment of Pure and Industrial Chemistry, University of NigeriaAbstract 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.https://doi.org/10.1038/s41598-021-01292-5 |
| spellingShingle | 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 Scientific Reports |
| title | 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_short | New chalcone derivatives as potential antimicrobial and antioxidant agent |
| title_sort | new chalcone derivatives as potential antimicrobial and antioxidant agent |
| url | https://doi.org/10.1038/s41598-021-01292-5 |
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