Computational Studies of Thiosemicarbazone-Based Metal Complexes and Their Biological Applications
| dc.contributor.author | Kulsum Hashmi, Satya, Priya Mishra, Ekhlakh Veg, Tahmeena Khan, Seema Joshi | |
| dc.date.accessioned | 2026-08-10T07:35:58Z | |
| dc.date.issued | 2026 | |
| dc.description | Eng. Proc. 2025, 117(1), 23; https://doi.org/10.3390/engproc2025117023 Published: 13 January 2026 (This article belongs to the Proceedings of The 4th International Electronic Conference on Processes) | |
| dc.description.abstract | Thiosemicarbazones are known for their versatile coordination behavior and wide-ranging applications in the field of materials science, catalysis, and medicinal chemistry. Several investigations have reported on the biological potential of transition metal complexes of TSCs. In addition, the structural, electronic, and reactive properties of these complexes are explored through computational studies using molecular docking and density functional theory (DFT). Such investigations not only support the interpretation of experimental results but also influence synthetic design by predicting the structural behavior of the complexes. In this study, we explore the computational studies of thiosemicarbazone metal complexes along with their biological activities. | |
| dc.identifier.uri | https://doi.org/10.3390/engproc2025117023 | |
| dc.identifier.uri | http://136.232.12.194:4000/handle/123456789/2064 | |
| dc.language.iso | en_US | |
| dc.publisher | MDPI | |
| dc.subject | thiosemicarbazones | |
| dc.subject | metal complexes | |
| dc.subject | density functional theory | |
| dc.subject | molecular docking | |
| dc.subject | biological activity | |
| dc.title | Computational Studies of Thiosemicarbazone-Based Metal Complexes and Their Biological Applications | |
| dc.type | Article |