Investigation of antituberculosis, antimicrobial, anti-inflammatory efficacies of newly synthesized transition metal(II) complexes of hydrazone ligands: structural elucidation and theoretical studies
Abstract Tuberculosis disease is a serious threat to humans and spreading quickly worldwide, therefore, to find a potent drug, the synthesis of hydrazone ligands endowed Co(II), Ni(II), Cu(II), Zn(II) metal complexes were carried out and well characterized by numerous spectral and analytical techniq...
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| Format: | Article |
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Nature Portfolio
2023-09-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-023-42180-4 |
| _version_ | 1797452564867842048 |
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| author | Binesh Kumar Jai Devi Amit Dubey Aisha Tufail Bharti Taxak |
| author_facet | Binesh Kumar Jai Devi Amit Dubey Aisha Tufail Bharti Taxak |
| author_sort | Binesh Kumar |
| collection | DOAJ |
| description | Abstract Tuberculosis disease is a serious threat to humans and spreading quickly worldwide, therefore, to find a potent drug, the synthesis of hydrazone ligands endowed Co(II), Ni(II), Cu(II), Zn(II) metal complexes were carried out and well characterized by numerous spectral and analytical techniques. The octahedral geometry of the complexes was confirmed by spectral analysis. Further, in vitro antituberculosis efficacy of the compounds (1–10) revealed that complexes (6), (9), (10) have highest potency to control TB malformation with 0.0028 ± 0.0013–0.0063 ± 0.0013 µmol/mL MIC value while Zn(II) complex (10) (0.0028 ± 0.0013 µmol/mL) has nearly four time potent to suppress TB disease in comparison of streptomycin (0.0107 ± 0.0011 µmol/mL). The antimicrobial and anti-inflammatory evaluations revealed that the complex (10) is more active with lowest MIC (0.0057–0.0114 µmol/mL) and IC50 (7.14 ± 0.05 µM) values, correspondingly which are comparable with their respective standard drugs. Furthermore, the theoretical studies such as molecular docking, DFT, MESP and ADMET were employed to authenticate the potency of HL 2 hydrazone ligand (2) and its metal complexes (7–10) which revealed that the zinc(II) complex (10) might be utilized as novel drug candidate for tuberculosis dysfunctions. So, the present research gives a new insight for in vivo investigation of the compounds. |
| first_indexed | 2024-03-09T15:10:30Z |
| format | Article |
| id | doaj.art-27f75832620c42d8b35008f8bdb72086 |
| institution | Directory Open Access Journal |
| issn | 2045-2322 |
| language | English |
| last_indexed | 2024-03-09T15:10:30Z |
| publishDate | 2023-09-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj.art-27f75832620c42d8b35008f8bdb720862023-11-26T13:22:04ZengNature PortfolioScientific Reports2045-23222023-09-0113111910.1038/s41598-023-42180-4Investigation of antituberculosis, antimicrobial, anti-inflammatory efficacies of newly synthesized transition metal(II) complexes of hydrazone ligands: structural elucidation and theoretical studiesBinesh Kumar0Jai Devi1Amit Dubey2Aisha Tufail3Bharti Taxak4Department of Chemistry, Guru Jambheshwar University of Science and TechnologyDepartment of Chemistry, Guru Jambheshwar University of Science and TechnologyDepartment of Pharmacology, Saveetha Dental College and Hospital, Saveetha Institute of Medical and Technical SciencesDepartment of Computational Chemistry and Drug Discovery Division, Quanta CalculusDepartment of Chemistry, Guru Jambheshwar University of Science and TechnologyAbstract Tuberculosis disease is a serious threat to humans and spreading quickly worldwide, therefore, to find a potent drug, the synthesis of hydrazone ligands endowed Co(II), Ni(II), Cu(II), Zn(II) metal complexes were carried out and well characterized by numerous spectral and analytical techniques. The octahedral geometry of the complexes was confirmed by spectral analysis. Further, in vitro antituberculosis efficacy of the compounds (1–10) revealed that complexes (6), (9), (10) have highest potency to control TB malformation with 0.0028 ± 0.0013–0.0063 ± 0.0013 µmol/mL MIC value while Zn(II) complex (10) (0.0028 ± 0.0013 µmol/mL) has nearly four time potent to suppress TB disease in comparison of streptomycin (0.0107 ± 0.0011 µmol/mL). The antimicrobial and anti-inflammatory evaluations revealed that the complex (10) is more active with lowest MIC (0.0057–0.0114 µmol/mL) and IC50 (7.14 ± 0.05 µM) values, correspondingly which are comparable with their respective standard drugs. Furthermore, the theoretical studies such as molecular docking, DFT, MESP and ADMET were employed to authenticate the potency of HL 2 hydrazone ligand (2) and its metal complexes (7–10) which revealed that the zinc(II) complex (10) might be utilized as novel drug candidate for tuberculosis dysfunctions. So, the present research gives a new insight for in vivo investigation of the compounds.https://doi.org/10.1038/s41598-023-42180-4 |
| spellingShingle | Binesh Kumar Jai Devi Amit Dubey Aisha Tufail Bharti Taxak Investigation of antituberculosis, antimicrobial, anti-inflammatory efficacies of newly synthesized transition metal(II) complexes of hydrazone ligands: structural elucidation and theoretical studies Scientific Reports |
| title | Investigation of antituberculosis, antimicrobial, anti-inflammatory efficacies of newly synthesized transition metal(II) complexes of hydrazone ligands: structural elucidation and theoretical studies |
| title_full | Investigation of antituberculosis, antimicrobial, anti-inflammatory efficacies of newly synthesized transition metal(II) complexes of hydrazone ligands: structural elucidation and theoretical studies |
| title_fullStr | Investigation of antituberculosis, antimicrobial, anti-inflammatory efficacies of newly synthesized transition metal(II) complexes of hydrazone ligands: structural elucidation and theoretical studies |
| title_full_unstemmed | Investigation of antituberculosis, antimicrobial, anti-inflammatory efficacies of newly synthesized transition metal(II) complexes of hydrazone ligands: structural elucidation and theoretical studies |
| title_short | Investigation of antituberculosis, antimicrobial, anti-inflammatory efficacies of newly synthesized transition metal(II) complexes of hydrazone ligands: structural elucidation and theoretical studies |
| title_sort | investigation of antituberculosis antimicrobial anti inflammatory efficacies of newly synthesized transition metal ii complexes of hydrazone ligands structural elucidation and theoretical studies |
| url | https://doi.org/10.1038/s41598-023-42180-4 |
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