{"title":"新型咪唑吡啶-查尔酮抗结核药物的设计合成及其对接和细胞毒性研究","authors":"Rajakumar Patil, Dinesh S. Reddy, Vidya G, Hamzad Shanavaz, Sashivinay Kumar Gaddam, Nikhil Kadam, Deepak Kasai","doi":"10.1134/S1070363225602352","DOIUrl":null,"url":null,"abstract":"<p>For the development of new anti-tubercular (TB) drugs, imidazopyridine-chalcone conjugates were synthesized. A combination of elemental and spectroscopy analysis was used for structural characterization of newly developed compounds. Anti-TB screening and cytotoxicity assays with Vero cells were conducted to evaluate the effectiveness of the synthesized compounds. It was found that few compounds were more effective than standard anti-TB drug pyrazinamide. Based on docking experiments performed on mycobacterium tuberculosis InhA bound to NITD-916 (PDB: 4R9S), certain compounds showed a greater affinity for protein binding. Moreover, the most active anti-TB compounds had outstanding safety profiles and exhibited high levels of interaction with the target protein. They may prove valuable as leads to new anti-TB treatments. The results clearly indicate that imidazopyridine-chalcone compounds may offer a good platform for developing effective antitubercular agents.</p>","PeriodicalId":761,"journal":{"name":"Russian Journal of General Chemistry","volume":"95 9","pages":"2537 - 2549"},"PeriodicalIF":0.8000,"publicationDate":"2025-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Design and Synthesis of Novel Imidazopyridine-Chalcone Hybrids As Potent Anti-TB Agents with Their Docking and Cytotoxicity Studies\",\"authors\":\"Rajakumar Patil, Dinesh S. Reddy, Vidya G, Hamzad Shanavaz, Sashivinay Kumar Gaddam, Nikhil Kadam, Deepak Kasai\",\"doi\":\"10.1134/S1070363225602352\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>For the development of new anti-tubercular (TB) drugs, imidazopyridine-chalcone conjugates were synthesized. A combination of elemental and spectroscopy analysis was used for structural characterization of newly developed compounds. Anti-TB screening and cytotoxicity assays with Vero cells were conducted to evaluate the effectiveness of the synthesized compounds. It was found that few compounds were more effective than standard anti-TB drug pyrazinamide. Based on docking experiments performed on mycobacterium tuberculosis InhA bound to NITD-916 (PDB: 4R9S), certain compounds showed a greater affinity for protein binding. Moreover, the most active anti-TB compounds had outstanding safety profiles and exhibited high levels of interaction with the target protein. They may prove valuable as leads to new anti-TB treatments. The results clearly indicate that imidazopyridine-chalcone compounds may offer a good platform for developing effective antitubercular agents.</p>\",\"PeriodicalId\":761,\"journal\":{\"name\":\"Russian Journal of General Chemistry\",\"volume\":\"95 9\",\"pages\":\"2537 - 2549\"},\"PeriodicalIF\":0.8000,\"publicationDate\":\"2025-10-07\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Russian Journal of General Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1134/S1070363225602352\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Russian Journal of General Chemistry","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1134/S1070363225602352","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Design and Synthesis of Novel Imidazopyridine-Chalcone Hybrids As Potent Anti-TB Agents with Their Docking and Cytotoxicity Studies
For the development of new anti-tubercular (TB) drugs, imidazopyridine-chalcone conjugates were synthesized. A combination of elemental and spectroscopy analysis was used for structural characterization of newly developed compounds. Anti-TB screening and cytotoxicity assays with Vero cells were conducted to evaluate the effectiveness of the synthesized compounds. It was found that few compounds were more effective than standard anti-TB drug pyrazinamide. Based on docking experiments performed on mycobacterium tuberculosis InhA bound to NITD-916 (PDB: 4R9S), certain compounds showed a greater affinity for protein binding. Moreover, the most active anti-TB compounds had outstanding safety profiles and exhibited high levels of interaction with the target protein. They may prove valuable as leads to new anti-TB treatments. The results clearly indicate that imidazopyridine-chalcone compounds may offer a good platform for developing effective antitubercular agents.
期刊介绍:
Russian Journal of General Chemistry is a journal that covers many problems that are of general interest to the whole community of chemists. The journal is the successor to Russia’s first chemical journal, Zhurnal Russkogo Khimicheskogo Obshchestva (Journal of the Russian Chemical Society ) founded in 1869 to cover all aspects of chemistry. Now the journal is focused on the interdisciplinary areas of chemistry (organometallics, organometalloids, organoinorganic complexes, mechanochemistry, nanochemistry, etc.), new achievements and long-term results in the field. The journal publishes reviews, current scientific papers, letters to the editor, and discussion papers.