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

被引：0

作者：

Ahmed, Yousef ^{[1
,12
]}

Ahmed, Abdulrahman T. ^{[2
]}

Mustafa, Mohammed Ahmed ^{[3
]}

Kakkad, Ashish ^{[4
]}

Ballal, Suhas ^{[5
]}

Kalia, Rishiv ^{[6
]}

Kubaev, Aziz ^{[7
]}

Arya, Renu ^{[8
]}

Ibraheem, Ali Yousif ^{[9
]}

Bekit, M. ^{[10
]}

Naglah, Ahmed M. ^{[11
]}

机构：

[1] Graph Era Hill Univ, Dept Allied Sci, Dehradun Campus, Dehra Dun, India

[2] Univ Al Maarif, Coll Nursing, Al Anbar 31001, Iraq

[3] Univ Samarra, Coll Educ, Dept Biol, Samarra 34010, Iraq

[4] Marwadi Univ, Res Ctr, Fac Hlth Sci, Dept Physiotherapy, Rajkot 360003, Gujarat, India

[5] JAIN Deemed Univ, Sch Sci, Dept Chem & Biochem, Bangalore, Karnataka, India

[6] Chitkara Univ, Inst Engn & Technol, Ctr Res Impact & Outcome, Rajpura 140401, Punjab, India

[7] Samarkand State Med Univ, Dept Maxillofacial Surg, 18 Amir Temur St, Samarkand 140100, Uzbekistan

[8] Chandigarh Grp Coll Jhanjeri, Chandigarh Pharm Coll, Dept Pharm, Mohali 140307, Punjab, India

[9] Al Mustaqbal Univ, Coll Hlth & Med Tech, Radiol Tech Dept, Babylon 51001, Iraq

[10] Zhengzhou Univ, 100 Sci Ave, Zhengzhou, Henan Province, Peoples R China

[11] King Saud Univ, Coll Pharm, Dept Pharmaceut Chem, POB 2457, Riyadh 11451, Saudi Arabia

[12] Graph Era Deemed Univ, Dehra Dun, Uttarakhand, India

来源：

SOLID STATE COMMUNICATIONS | 2025年 / 403卷

关键词：

DFT; ZnO nanotube; Chlorambucil drug; Drug delivery; MODEL; ADSORPTION; REDUCTION; CHEMISTRY;

D O I：

10.1016/j.ssc.2025.115972

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

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.

引用

页数：8

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