Targeted Drug Delivery of Anticancer Agents Using C<sub>5</sub>N<sub>2</sub> Substrate: Insights from Density Functional Theory

Targeted Drug Delivery of Anticancer Agents Using C<sub>5</sub>N<sub>2</sub> Substrate: Insights from Density Functional Theory

Cancer has a threatening impact on human health, and it is one of the primary causes of fatalities worldwide. Different conventional treatments have been employed to treat cancer, but their non-specific nature reduces their therapeutic efficacy. This study employs a C<sub>5</sub>N<sub...

Full description

Saved in:

Bibliographic Details
Main Authors:	Syeda Huda Mehdi Zaidi, Muhammad Ajmal, Muhammad Ali Hashmi, Ahmed Lakhani
Format:	Article
Language:	English
Published:	MDPI AG 2025-06-01
Series:	Chemistry
Subjects:	density functional theory anticancer drug delivery interaction energy electronic properties therapeutic
Online Access:	https://www.mdpi.com/2624-8549/7/3/98
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Coenzyme Q<sub>10</sub> as an Inhibitor of Effector Release from One-Electron-Reduced Bioreductive Anticancer Prodrugs
by: Robert F. Anderson, et al.
Published: (2025-02-01)

Molecular insight into the role of benzotriazole nanocapsule to deliver anticancer drug in smart drug delivery system
by: Areeg Sajjad, et al.
Published: (2025-04-01)

DFT investigation of therapeutic potential of benzimidazolone capsule as a drug delivery vehicle for anticancer drug
by: Kaynat Akhtar, et al.
Published: (2025-08-01)

Investigation of the geometry and electronic structure of endohedral complexes Pd<sub>n</sub>@C<sub>60</sub>, n=1,…,4, by quantum chemistry methods
by: G. E. Gal’pern, et al.
Published: (2011-12-01)

Newly Synthesized CoFe<sub>2−y</sub>Pr<sub>y</sub>O<sub>4</sub> (y = 0; 0.01; 0.03; 0.05; 0.1; 0.15; 0.2) Nanoparticles Reveal Promising Selective Anticancer Activity Against Melanoma (A375), Breast Cancer (MCF-7), and Colon Cancer (HT-29) Cells
by: Slaviţa Rotunjanu, et al.
Published: (2025-05-01)

Electrical Transport Interplay with Charge Density Waves, Magnetization, and Disorder Tuned by 2D van der Waals Interface Modification via Elemental Intercalation and Substitution in ZrTe<sub>3</sub>, 2H-TaS<sub>2</sub>, and Cr<sub>2</sub>Si<sub>2</sub>Te<sub>6</sub> Crystals
by: Xiao Tong, et al.
Published: (2025-05-01)

Investigation of the system AgIn<sub>5</sub>S<sub>8</sub>-FeIn<sub>2</sub>S<sub>4</sub>
by: I. V. Bodnar, et al.
Published: (2019-06-01)

DFT Study of Hydrostatic Pressure Effects up to 1.0 GPa on the Electronic and Magnetic Properties of Laves Phases ErAl<sub>2</sub> and ErNi<sub>2</sub>
by: Tomás López-Solenzal, et al.
Published: (2025-06-01)

In-Depth DFT-Based Analysis of the Structural, Mechanical, Thermodynamic, and Electronic Characteristics of CuP<sub>2</sub> and Cu<sub>3</sub>P: Insights into Material Stability and Performance
by: Ching-Feng Yu, et al.
Published: (2025-03-01)

Magnetism and Low-Temperature Magnetocaloric Effect in Gd<sub>7</sub>(BO<sub>3</sub>)(PO<sub>4</sub>)<sub>2</sub>O<sub>6</sub> Compound with Monoclinic Lattice
by: Lu Tian, et al.
Published: (2025-03-01)

Enhancing Energy Density of BaTiO<sub>3</sub>-Bi(M)O<sub>3</sub>@SiO<sub>2</sub>/PVDF Nanocomposites via Filler Component Modulation and Film Structure Design
by: Jin Hu, et al.
Published: (2025-04-01)

Analysis of Breakdown and Decomposition Characteristics of C<sub>4</sub>F<sub>7</sub>N/N<sub>2</sub>/O<sub>2</sub> Ternary Mixed Gas Based on Density Functional
by: Ti LIU, et al.
Published: (2024-09-01)

Synthesis and Photoluminescent Properties of Dy<sup>3+</sup>-Doped and Dy<sup>3+</sup>/Eu<sup>3+</sup> Co-Doped 50ZnO:40B<sub>2</sub>O<sub>3</sub>:5WO<sub>3</sub>:Nb<sub>2</sub>O<sub>5</sub> Glass
by: Margarita Milanova, et al.
Published: (2025-05-01)

A High-Density 4H-SiC MOSFET Based on a Buried Field Limiting Ring with Low Q<sub>gd</sub> and R<sub>on</sub>
by: Wenrong Cui, et al.
Published: (2025-04-01)

Deriving High-Energy-Density Polymeric Nitrogen N<sub>10</sub> from the Host–Guest ArN<sub>10</sub> Compound
by: Lulu Liu, et al.
Published: (2025-02-01)

Enhancing the Photocatalytic Efficacy of g-C<sub>3</sub>N<sub>4</sub> Through Irradiation Modification and Composite Construction with Ti<sub>3</sub>C<sub>2</sub> for Photodynamic Therapy
by: Bin Huang, et al.
Published: (2025-01-01)

Selective O<sub>2</sub>/N<sub>2</sub> Separation Using Grazyne Membranes: A Computational Approach Combining Density Functional Theory and Molecular Dynamics
by: Adrià Calzada, et al.
Published: (2024-12-01)

Band structure and magnetic properties of cubic crystals In<sub>x</sub>Ga<sub>1-x</sub>N: Ab initio calculations
by: Victor V. Ilyasov, et al.
Published: (2016-06-01)

Negative Ion Formation by the Thermal Surface Ionization of Oxygen-Bearing Gases (O<sub>2</sub>, CO<sub>2</sub>, CO, NO, and NO<sub>2</sub>)
by: Patryk Gontarz, et al.
Published: (2025-05-01)

Mesoporous Bi<sub>2</sub>S<sub>3</sub>/Bi<sub>2</sub>O<sub>3</sub> Heterostructure-Based Sensors for Sub-ppm NO<sub>2</sub> Detection at Room Temperature
by: Wei Liu, et al.
Published: (2025-06-01)

Influence of Content and Type of Lanthanide on the Structure of Ln<sub>2</sub>O<sub>3</sub>-Covered Carbon Nanoflakes: The EPR and XPS Study
by: Serguei V. Savilov, et al.
Published: (2025-07-01)

[Palladium-decabismuth(4+)]-tetrakis(tetrachloridoaluminate) Cluster Compound, [Pd@Bi<sub>10</sub>][AlCl<sub>4</sub>]<sub>4</sub>: Synthesis, Crystal Structure, and Electronic Structure
by: S. M. Gayomi K. Samarakoon, et al.
Published: (2025-06-01)

Modeling of two-dimensional MoxW<sub>1−x</sub>S<sub>2y</sub>Se<sub>2(1−y)</sub> alloy band structure
by: N. Yu. Pimenov, et al.
Published: (2022-06-01)

Strain Engineering of Anisotropic Electronic, Transport, and Photoelectric Properties in Monolayer Sn<sub>2</sub>Se<sub>2</sub>P<sub>4</sub>
by: Haowen Xu, et al.
Published: (2025-04-01)

Polynitrobenzene Derivatives, Containing -CF<sub>3</sub>, -OCF<sub>3</sub>, and -O(CF<sub>2</sub>)<sub>n</sub>O- Functional Groups, as Candidates for Perspective Fluorinated High-Energy Materials: Theoretical Study
by: Jelena Tamuliene, et al.
Published: (2024-12-01)

Comparative DFT Study of K<sub>2</sub>AgSbBr<sub>6</sub> and K<sub>2</sub>NaScBr<sub>6</sub>: Exploring the Role of B<sup>′</sup>B<sup>″</sup> Cation Substitution on Material Properties
by: Abdelkebir Ejjabli, et al.
Published: (2025-06-01)

Etching Chemistry Process Optimization of Ethylene Diluted with Helium (C<sub>2</sub>H<sub>4</sub>/He) in Interconnect Integration
by: Hwa-Rim Lee, et al.
Published: (2024-11-01)

Insights into Pd-Nb@In<sub>2</sub>Se<sub>3</sub> Electrocatalyst for High-Performance and Selective CO<sub>2</sub> Reduction Reaction from DFT
by: Lin Ju, et al.
Published: (2025-05-01)

Deposition of SiN<sub>x</sub> Films with Controlled Residual Stress from SiH<sub>4</sub>-NH<sub>3</sub>-He Gaseous Mixture in Inductively Coupled Plasma
by: N. S. Koval’chuk, et al.
Published: (2024-02-01)

Hybrid Nanostructures of Fe<sub>3</sub>O<sub>4</sub> and Au Prepared via Coprecipitation and Ultrasonic Spray Pyrolysis
by: Lan Kresnik, et al.
Published: (2024-11-01)

Microstructural and Oxidation Effects of Nb Additions to U<sub>3</sub>Si<sub>2</sub>
by: Geronimo Robles, et al.
Published: (2024-10-01)

Optimization of CuO<sub>x</sub>/Ga<sub>2</sub>O<sub>3</sub> Heterojunction Diodes for High-Voltage Power Electronics
by: Xiaohui Wang, et al.
Published: (2025-01-01)

Strategic Doping for Precise Structural Control and Intense Photocurrents Under Visible Light in Ba<sub>2</sub>M<sub>0.4</sub>Bi<sub>1.6</sub>O<sub>6</sub> (M = La, Ce, Pr, Pb, Y) Double Perovskites
by: Tirong Guo, et al.
Published: (2025-07-01)

The Influence of Light Rare-Earth Substitution on Electronic and Magnetic Properties of CoFe<sub>2</sub>O<sub>4</sub> Nanoparticles
by: Rareș Bortnic, et al.
Published: (2025-07-01)

Exploring How Dopants Strengthen Metal-Ni/Ceramic-Al<sub>2</sub>O<sub>3</sub> Interface Structures at the Atomic and Electronic Levels
by: Fengqiao Sun, et al.
Published: (2025-04-01)

Unveiling the Micro-Mechanism of Functional Group Regulation for Enhanced Dielectric Properties in Novel Natural Ester Insulating Oil TME-C<sub>10</sub>
by: Min Chen, et al.
Published: (2025-03-01)

Lithium-Decorated C<sub>26</sub> Fullerene in DFT Investigation: Tuning Electronic Structures for Enhanced Hydrogen Storage
by: Jiangang Yu, et al.
Published: (2025-07-01)

Electrochemical Corrosion Resistance of Al<sub>2</sub>O<sub>3</sub>–YSZ Coatings on Steel Substrates
by: Ramona Cimpoeșu, et al.
Published: (2024-11-01)

Development of Liver-Targeting α<sub>V</sub>β<sub>5</sub><sup>+</sup> Exosomes as Anti-TGF-β Nanocarriers for the Treatment of the Pre-Metastatic Niche
by: Paloma Acosta Montaño, et al.
Published: (2024-12-01)

ELECTRONIC AND DYNAMICAL PROPERTIES OF BULK AND LAYERED MoS<sub>2</sub>
by: A. V. Krivosheeva, et al.
Published: (2019-06-01)