4.6 Article

Investigation of the adsorption properties of gemcitabine anticancer drug with metal-doped boron nitride fullerenes as a drug-delivery carrier: a DFT study

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

DFT and QTAIM investigations of the adsorption of chlormethine anticancer drug on the exterior surface of pristine and transition metal functionalized boron nitride fullerene

Md Rakib Hossain et al.

Summary: The study explores the use of nanomaterials as drug delivery vehicles for anticancer drugs, with Ni-BN identified as the most suitable nanostructure for forming drug delivery complexes, particularly beneficial for chlormethine drug delivery applications.

JOURNAL OF MOLECULAR LIQUIDS (2021)

Article Chemistry, Physical

First-principles study of the adsorption of chlormethine anticancer drug on C24, B12N12 and B12C6N6 nanocages

Md. Rakib Hossain et al.

Summary: The adsorption of chlormethine (CM) drug on different nanocages was studied using density functional theory, revealing that B12N12 nanocage shows promising adsorption capabilities for CM drug due to high adsorption energy values.

COMPUTATIONAL AND THEORETICAL CHEMISTRY (2021)

Article Chemistry, Physical

The thermodynamic, quantum, AIM and NBO study of the interaction of pyrazinamide drug with the pristine and transition metal-doped B12P12

Mahdi Rezaei-Sameti et al.

ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY (2020)

Article Chemistry, Physical

Boron nitride B11N12M+ (M = B, Al, Ga, and In) nanocages as a catalyst for CO oxidation by N2O: A density functional study

Xiufang Hou et al.

COMPUTATIONAL AND THEORETICAL CHEMISTRY (2020)

Article Chemistry, Inorganic & Nuclear

Adsorption behavior of 5-aminosalicylic acid drug on the B12N12, AlB11N12 and GaB11N12 nanoclusters: A comparative DFT study

Hang Zhu et al.

INORGANIC CHEMISTRY COMMUNICATIONS (2020)

Article Chemistry, Physical

Quantum mechanical simulation of Chloroquine drug interaction with C60 fullerene for treatment of COVID-19

Samaneh Bagheri Novir et al.

CHEMICAL PHYSICS LETTERS (2020)

Review Pharmacology & Pharmacy

The influence of nanoparticulate drug delivery systems in drug therapy

Nafiu Aminu et al.

JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY (2020)

Article Chemistry, Physical

Adsorption behavior of metformin drug on boron nitride fullerenes: Thermodynamics and DFT studies

A. S. Ghasemi et al.

JOURNAL OF MOLECULAR LIQUIDS (2019)

Article Chemistry, Physical

Flutamide drug interaction studies on graphdiyne nanotube - A first-principles study

V Nagarajan et al.

COMPUTATIONAL AND THEORETICAL CHEMISTRY (2019)

Review Pharmacology & Pharmacy

Gemcitabine Combination Nano Therapies for Pancreatic Cancer

Kamalika Samanta et al.

PHARMACEUTICS (2019)

Article Biochemistry & Molecular Biology

The encapsulation of the gemcitabine anticancer drug into grapheme nest: a theoretical study

Marwa Mlaouah et al.

JOURNAL OF MOLECULAR MODELING (2018)

Article Biotechnology & Applied Microbiology

Nanocarrier for levodopa Parkinson therapeutic drug; comprehensive benserazide analysis

Mehdi Yoosefian et al.

ARTIFICIAL CELLS NANOMEDICINE AND BIOTECHNOLOGY (2018)

Article Chemistry, Multidisciplinary

A DFT study on electronic and optical properties of aspirin-functionalized B12N12 fullerene-like nanocluster

Esmail Vessally et al.

STRUCTURAL CHEMISTRY (2017)

Article Chemistry, Physical

The mechanism of hydrogen adsorption on transition metal dichalcogenides as hydrogen evolution reaction catalyst

Jinsong Wang et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)

Article Chemistry, Physical

Novel sodium dodecyl sulfate-assisted synthesis of Zn3V2O8 nanostructures via a simple route

Fatemeh Mazloom et al.

JOURNAL OF MOLECULAR LIQUIDS (2016)

Article Chemistry, Multidisciplinary

Electronic and optical properties of 5-AVA-functionalized BN nanoclusters: a DFT study

Alireza Soltani et al.

NEW JOURNAL OF CHEMISTRY (2016)

Article Chemistry, Physical

Controlling phase transition for single-layer MTe2 (M = Mo and W): modulation of the potential barrier under strain

H. H. Huang et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)

Article Chemistry, Multidisciplinary

A DFT study on the interaction between 5-fluorouracil and B12N12 nanocluster

Masoud Bezi Javan et al.

RSC ADVANCES (2016)

Article Chemistry, Multidisciplinary

Highly Water-Soluble, Porous, and Biocompatible Boron Nitrides for Anticancer Drug Delivery

Qunhong Weng et al.

ACS NANO (2014)

Article Chemistry, Multidisciplinary

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)

Article Chemistry, Physical

NCIPLOT: A Program for Plotting Noncovalent Interaction Regions

Julia Contreras-Garcia et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)

Article Chemistry, Physical

CDASE-A reliable scheme to explain the reactivity sequence between Diels-Alder pairs

Soumen Saha et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)

Review Chemistry, Physical

TD-DFT performance for the visible absorption spectra of organic dyes: Conventional versus long-range hybrids

Denis Jacquemin et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)

Article Chemistry, Multidisciplinary

Understanding ribonucleotide reductase inactivation by gemcitabine

Nuno M. F. S. A. Cerqueira et al.

CHEMISTRY-A EUROPEAN JOURNAL (2007)