Multitargeted molecular docking and dynamics simulation studies of 1,3,4-thiadiazoles synthesised from (R)-carvone against specific tumour protein markers: An In-silico study of two diastereoisomers. - Mourad Fawzi; Abdoullah Bimoussa; Yassine Laamari; Muhammed Tilahun Muhammed; Ali Irfan; Ali Oubella; Manal A. Alossaimi; Yassine Riadi; Aziz Auhmani; Moulay Youssef Ait Itto (Comput. Biol. Chem., 2024)

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)

Anticancer potential of novel benzothiazolyl piperidine-3-carboxamide derivatives as CDKs and VEGFR2 multi-target kinase inhibitors. - Obaid Afzal; Ali Altharawi; Safar M. Alqahtani; Manal A. Alossaimi; Taibah Aldakhil; Abdulmalik S. A. Altamimi; Alhumaidi Alabbas; Mubarak A. Alamri (J. Comput. Aided Mol. Des., 2025)