Antibacterial and Pharmacological Evaluation of Fluoroquinolones: A Chemoinformatics Approach
Fluoroquinolone (FQ) antibiotics are an important class of synthetic antibacterial agents. These are the most extensively used drugs for treating bacterial infections in the field of both human and veterinary medicine. Herein, the antibacterial and pharmacological properties of four fluoroquinolones...
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| Format: | Article |
| Language: | English |
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BioMed Central
2018-09-01
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| Series: | Genomics & Informatics |
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| Online Access: | http://genominfo.org/upload/pdf/gi-2018-16-3-44.pdf |
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| author | Damini Sood Neeraj Kumar Aarushi Singh Meena Kishore Sakharkar Vartika Tomar Ramesh Chandra |
| author_facet | Damini Sood Neeraj Kumar Aarushi Singh Meena Kishore Sakharkar Vartika Tomar Ramesh Chandra |
| author_sort | Damini Sood |
| collection | DOAJ |
| description | Fluoroquinolone (FQ) antibiotics are an important class of synthetic antibacterial agents. These are the most extensively used drugs for treating bacterial infections in the field of both human and veterinary medicine. Herein, the antibacterial and pharmacological properties of four fluoroquinolones: lomefloxacin, norfloxacin, ciprofloxacin, and ofloxacin have been studied. The objective of this study was to analyze the antibacterial characteristics of the different fluoroquinolones. Also, the pharmacological properties of the compounds including the Lipinski rule of five, absorption, distribution, metabolism, and excretion, LD50, drug likeliness, and toxicity were evaluated. We found that among all four FQ molecules, ofloxacin showed the highest antibacterial activity through in silico assays with a strong interaction (−38.52 kJ/mol) with the antibacterial target protein (topoisomerase-II DNA gyrase enzyme). The pharmacological and pharmacokinetic analysis also showed that the compounds ciprofloxacin, ofloxacin, lomefloxacin and norfloxacin have good pharmacological properties. Notably, ofloxacin was found to possess an IGC50 (concentration needed to inhibit 50% growth) value of 0.286 μg/L against the Tetrahymena pyriformis protozoa. It also tested negative for the Ames toxicity test, showing its non-carcinogenic character. |
| format | Article |
| id | doaj-art-aef0013844a34a8a9e4e089201b21f62 |
| institution | Kabale University |
| issn | 2234-0742 |
| language | English |
| publishDate | 2018-09-01 |
| publisher | BioMed Central |
| record_format | Article |
| series | Genomics & Informatics |
| spelling | doaj-art-aef0013844a34a8a9e4e089201b21f622025-02-02T23:24:58ZengBioMed CentralGenomics & Informatics2234-07422018-09-01163445110.5808/GI.2018.16.3.44512Antibacterial and Pharmacological Evaluation of Fluoroquinolones: A Chemoinformatics ApproachDamini Sood0Neeraj Kumar1Aarushi Singh2Meena Kishore Sakharkar3Vartika Tomar4Ramesh Chandra5 Drug Discovery & Development Laboratory, Department of Chemistry, University of Delhi, Delhi 110007, India Drug Discovery & Development Laboratory, Department of Chemistry, University of Delhi, Delhi 110007, India Drug Discovery & Development Laboratory, Department of Chemistry, University of Delhi, Delhi 110007, India College of Pharmacy and Nutrition, University of Saskatchewan, Saskatoon S7N543, Canada Drug Discovery & Development Laboratory, Department of Chemistry, University of Delhi, Delhi 110007, India Drug Discovery & Development Laboratory, Department of Chemistry, University of Delhi, Delhi 110007, IndiaFluoroquinolone (FQ) antibiotics are an important class of synthetic antibacterial agents. These are the most extensively used drugs for treating bacterial infections in the field of both human and veterinary medicine. Herein, the antibacterial and pharmacological properties of four fluoroquinolones: lomefloxacin, norfloxacin, ciprofloxacin, and ofloxacin have been studied. The objective of this study was to analyze the antibacterial characteristics of the different fluoroquinolones. Also, the pharmacological properties of the compounds including the Lipinski rule of five, absorption, distribution, metabolism, and excretion, LD50, drug likeliness, and toxicity were evaluated. We found that among all four FQ molecules, ofloxacin showed the highest antibacterial activity through in silico assays with a strong interaction (−38.52 kJ/mol) with the antibacterial target protein (topoisomerase-II DNA gyrase enzyme). The pharmacological and pharmacokinetic analysis also showed that the compounds ciprofloxacin, ofloxacin, lomefloxacin and norfloxacin have good pharmacological properties. Notably, ofloxacin was found to possess an IGC50 (concentration needed to inhibit 50% growth) value of 0.286 μg/L against the Tetrahymena pyriformis protozoa. It also tested negative for the Ames toxicity test, showing its non-carcinogenic character.http://genominfo.org/upload/pdf/gi-2018-16-3-44.pdfantibacterialchemoinformaticsfluoroquinolonespharmacological |
| spellingShingle | Damini Sood Neeraj Kumar Aarushi Singh Meena Kishore Sakharkar Vartika Tomar Ramesh Chandra Antibacterial and Pharmacological Evaluation of Fluoroquinolones: A Chemoinformatics Approach Genomics & Informatics antibacterial chemoinformatics fluoroquinolones pharmacological |
| title | Antibacterial and Pharmacological Evaluation of Fluoroquinolones: A Chemoinformatics Approach |
| title_full | Antibacterial and Pharmacological Evaluation of Fluoroquinolones: A Chemoinformatics Approach |
| title_fullStr | Antibacterial and Pharmacological Evaluation of Fluoroquinolones: A Chemoinformatics Approach |
| title_full_unstemmed | Antibacterial and Pharmacological Evaluation of Fluoroquinolones: A Chemoinformatics Approach |
| title_short | Antibacterial and Pharmacological Evaluation of Fluoroquinolones: A Chemoinformatics Approach |
| title_sort | antibacterial and pharmacological evaluation of fluoroquinolones a chemoinformatics approach |
| topic | antibacterial chemoinformatics fluoroquinolones pharmacological |
| url | http://genominfo.org/upload/pdf/gi-2018-16-3-44.pdf |
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