Synthesis, molecular structure, spectroscopic, electronic properties, molecular docking, and molecular dynamics studies on novel 1,2,3-triazole-thiosemicarbazone: A potent breast cancer drug. - Younesse Ait Elmachkouri; R. Rajesh; Ali Altharawi; Alfind Paul Frit A; Manal A. Alossaimi; Yassine Riadi; Taibah Aldakhil; Mohamed Labd Taha; Reda A. Haggam (Comput. Biol. Chem., 2025)