Design, Synthesis, and In Vitro and In Silico Biological Exploration of Novel Pyridine-Embedded 1,3,4-Oxadiazole Hybrids as Potential Antimicrobial Agents
Antibiotic resistance represents a significant public health challenge in the current century. The β-lactam antibiotics, together with carbapenems, are inactivated by zinc-dependent bacterial enzymes called metallo-β-lactamases (MBLs). Presently there are no clinically permitted MBL inhibitors, and...
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| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
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Wiley
2025-01-01
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| Series: | Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/joch/4427650 |
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| author | Shivakumara K. N. Basavarajaiah S. M. Nagesh G. Y. Prashantha K. Yogesh M. Abhishek N. R. Odesha H. N. |
| author_facet | Shivakumara K. N. Basavarajaiah S. M. Nagesh G. Y. Prashantha K. Yogesh M. Abhishek N. R. Odesha H. N. |
| author_sort | Shivakumara K. N. |
| collection | DOAJ |
| description | Antibiotic resistance represents a significant public health challenge in the current century. The β-lactam antibiotics, together with carbapenems, are inactivated by zinc-dependent bacterial enzymes called metallo-β-lactamases (MBLs). Presently there are no clinically permitted MBL inhibitors, and to produce such drugs, it is indispensable to comprehend their inhibitory action. We investigated an efficient synthesis of pyridine-embedded 1,3,4-oxadiazole hybrids (3a-c) and their antimicrobial activity against different microbial strains. The compounds were characterized by spectral techniques (viz., IR, NMR, and mass). The in vitro antibacterial and antifungal activity was also performed; the compounds (3a-c) displayed excellent antimicrobial activity. The in silico docking studies were evaluated with proteins New Delhi Metallo-Beta-lactamase-1 (NDM-1) and Mycobacterium tuberculosis enoyl reductase (INHA). All the compounds demonstrated a significant binding affinity for the docked proteins. Additionally, molecular dynamics were disclosed for compounds (4a-c). |
| format | Article |
| id | doaj-art-caf3c2cbce0743c1a87b10b6e043b321 |
| institution | DOAJ |
| issn | 2090-9071 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Journal of Chemistry |
| spelling | doaj-art-caf3c2cbce0743c1a87b10b6e043b3212025-08-20T03:06:30ZengWileyJournal of Chemistry2090-90712025-01-01202510.1155/joch/4427650Design, Synthesis, and In Vitro and In Silico Biological Exploration of Novel Pyridine-Embedded 1,3,4-Oxadiazole Hybrids as Potential Antimicrobial AgentsShivakumara K. N.0Basavarajaiah S. M.1Nagesh G. Y.2Prashantha K.3Yogesh M.4Abhishek N. R.5Odesha H. N.6Department of ChemistryPG Department of ChemistryPG Department of ChemistryDepartment of BiotechnologyPG Department of ChemistryPG Department of ChemistryPG Department of ChemistryAntibiotic resistance represents a significant public health challenge in the current century. The β-lactam antibiotics, together with carbapenems, are inactivated by zinc-dependent bacterial enzymes called metallo-β-lactamases (MBLs). Presently there are no clinically permitted MBL inhibitors, and to produce such drugs, it is indispensable to comprehend their inhibitory action. We investigated an efficient synthesis of pyridine-embedded 1,3,4-oxadiazole hybrids (3a-c) and their antimicrobial activity against different microbial strains. The compounds were characterized by spectral techniques (viz., IR, NMR, and mass). The in vitro antibacterial and antifungal activity was also performed; the compounds (3a-c) displayed excellent antimicrobial activity. The in silico docking studies were evaluated with proteins New Delhi Metallo-Beta-lactamase-1 (NDM-1) and Mycobacterium tuberculosis enoyl reductase (INHA). All the compounds demonstrated a significant binding affinity for the docked proteins. Additionally, molecular dynamics were disclosed for compounds (4a-c).http://dx.doi.org/10.1155/joch/4427650 |
| spellingShingle | Shivakumara K. N. Basavarajaiah S. M. Nagesh G. Y. Prashantha K. Yogesh M. Abhishek N. R. Odesha H. N. Design, Synthesis, and In Vitro and In Silico Biological Exploration of Novel Pyridine-Embedded 1,3,4-Oxadiazole Hybrids as Potential Antimicrobial Agents Journal of Chemistry |
| title | Design, Synthesis, and In Vitro and In Silico Biological Exploration of Novel Pyridine-Embedded 1,3,4-Oxadiazole Hybrids as Potential Antimicrobial Agents |
| title_full | Design, Synthesis, and In Vitro and In Silico Biological Exploration of Novel Pyridine-Embedded 1,3,4-Oxadiazole Hybrids as Potential Antimicrobial Agents |
| title_fullStr | Design, Synthesis, and In Vitro and In Silico Biological Exploration of Novel Pyridine-Embedded 1,3,4-Oxadiazole Hybrids as Potential Antimicrobial Agents |
| title_full_unstemmed | Design, Synthesis, and In Vitro and In Silico Biological Exploration of Novel Pyridine-Embedded 1,3,4-Oxadiazole Hybrids as Potential Antimicrobial Agents |
| title_short | Design, Synthesis, and In Vitro and In Silico Biological Exploration of Novel Pyridine-Embedded 1,3,4-Oxadiazole Hybrids as Potential Antimicrobial Agents |
| title_sort | design synthesis and in vitro and in silico biological exploration of novel pyridine embedded 1 3 4 oxadiazole hybrids as potential antimicrobial agents |
| url | http://dx.doi.org/10.1155/joch/4427650 |
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