Browsing by Author "Kulsum Hashmi, Satya, Priya Mishra, Ekhlakh Veg, Tahmeena Khan, Seema Joshi"

Filter results by typing the first few letters
Now showing 1 - 2 of 2
  • Thumbnail Image
    Item
    Computational Studies of Thiosemicarbazone-Based Metal Complexes and Their Biological Applications
    (MDPI, 2026) Kulsum Hashmi, Satya, Priya Mishra, Ekhlakh Veg, Tahmeena Khan, Seema Joshi
    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.
  • Thumbnail Image
    Item
    The Potentiality of Vanadium Complexes as Antibacterial Agents †
    (MDPI, 2026) Kulsum Hashmi, Satya, Priya Mishra, Ekhlakh Veg, Tahmeena Khan, Seema Joshi
    Metal ions and ligand binding are crucial in various biological processes, and their rational design can be used to develop novel therapeutic drugs and diagnostic tools. Metal atoms are soluble in biological fluids due to their ability to easily lose electrons and form positively charged ions. Because of their electron deficiency, they can interact with electron-rich biomolecules like proteins and DNA, and potentially participate in catalytic mechanisms or stabilize their tertiary or quaternary structures. Antibacterial resistance has become a major global concern and requires novel strategies to combat resistance mechanisms in infectious microbes.