Article

Anti-cancer chlorambucil drug delivery by Pt, au, and Ir-decorated ZnO nanotubes

Yousef AhmedDepartment of Allied Science, Graphic Era Hill University, Dehradun, IndiaAbdulrahman T. AhmedCollege of Nursing, University of Al Maarif, Al Anbar, 31001, IraqMohammed Ahmed MustafaDepartment of Biology, College of Education, University of Samarra, 34010, IraqAshish KakkadMarwadi University Research Center, Department of Physiotherapy, Faculty of Health Sciences, Marwadi University, Rajkot, 360003, Gujarat, IndiaSuhas BallalDepartment of Chemistry and Biochemistry, School of Sciences, JAIN (Deemed to Be University), Bangalore, Karnataka, IndiaRishiv KaliaCentre for Research Impact & Outcome, Chitkara University Institute of Engineering and Technology, Chitkara University, Rajpura, 140401, Punjab, IndiaAziz KubaevDepartment of Maxillofacial Surgery, Samarkand State Medical University, 18 Amir Temur Street, Samarkand, 140100, UzbekistanRenu AryaAli Yousif IbraheemM. BekitZhengzhou University, 100 Science Avenue, Zhengzhou, Henan province, PR ChinaAhmed M. NaglahDepartment of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, P.O. BOX 2457, 11451, Riyadh, Saudi Arabia

Solid State Communicationsjournal2025en

ABI

Abstract

The pristine ZnO nanotube (ZnONT) and the X (X = Pt, Au, and Ir)-decorated ZnONT (X@ZnONT) forms were studied as drug delivery systems (DDSs) for the anti-cancer chlorambucil (ChB) drug using DFT computations. The pure ZnONT was not ideal for the drug delivery with the adhesion energy (AE) from −5.9 to −6.8 kcal/mol. The AE increased to −29.7, −27.1, and −30.8 kcal/mol after decorating the Pt, Au, and Ir onto the ZnONT, respectively. The presence of X atoms had a significant influence on creating the virtual orbitals in X@ZnONT. Consequently, it increases the adhesion capacity which makes the nanotube more favorable for drug delivery purposes. A drug release mechanism was proposed in low-pH cancerous tissues. In this mechanism, ChB becomes significantly protonated, causing it to separate from the surface. The reaction type of ChB with ZnONT changes from a covalent bond to a hydrogen bond in the acidic cancerous cells. • Potential application of ZnO nanotube (ZnO-NT) as a chlorambucil drug carrier is studied. • Decoration of Pt, Au, and Ir improve the ZnO-NT drug delivery ability. • A drug release mechanism is proposed based on the pH. • Pt, Au, and Ir-decorated ZnO-NT are electronically sensitive to the chlorambucil drug.

Topics

Nanomaterials for catalytic reactions Nonlinear Optical Materials Research Nanoparticle-Based Drug Delivery

Identifiers

DOI: 10.1016/j.ssc.2025.115972

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