Benzimidazole scaffold as a potent anticancer agent with different mechanisms of action (2016–2023)

FF Hagar, SH Abbas, E Atef, D Abdelhamid… - Molecular Diversity, 2024 - Springer
Benzimidazole scaffolds have potent anticancer activity due to their structure similarity to
nucleoside. In addition, benzimidazoles could function as hydrogen donors or acceptors and …

Investigation of the adsorption behavior of the anti-cancer drug hydroxyurea on the graphene, BN, AlN, and GaN nanosheets and their doped structures via DFT and …

AA Piya, AKMA Hossain - RSC advances, 2023 - pubs.rsc.org
To reduce the direct side effects of chemotherapy, researchers are trying to establish a new
approach of a drug-delivery system using nanomaterials. In this study, we investigated …

Unravelling the adsorption performance of BN, AlN, GaN and InN 2D nanosheets towards the ciclopirox, 5-fluorouracil and nitrosourea for anticancer drug delivery …

T Ahmed, MA Rahman, R Islam, AA Piya… - Computational and …, 2022 - Elsevier
In this work, the sensitivity and reactivity of graphene like 2D nanosheets such as BNNS,
AlNNS, GaNNS and InNNS towards ciclopirox (CPX), 5-fluorouracil (5-FU) and nitrosourea …

Recent advancements in the chemical sensing of anticancer alkylating agents

HH Shanaah, A Allangawi, EFH ALZaimoor… - Chemical Papers, 2024 - Springer
Anticancer agents are important drugs used in the treatment of different types of cancers.
Some of the anticancer drugs act as alkylating agents. The release of these drugs from …

Phosgene oxime detection by Ag-decorated and Ag-doped aluminum nitride nanotubes: Density functional theory studies

MJ Saadh, SA Jasim, MK Jameel, A Kumar… - Solid State …, 2024 - Elsevier
Phosgene oxime (PO) is one of the dangerous chemicals with an unknown action
mechanism, and high toxicity which has widespread applications in military operations and …

New 1, 3, 4‐oxadiazole‐chalcone/benzimidazole hybrids as potent antiproliferative agents

FF Hagar, SH Abbas, D Abdelhamid… - Archiv der …, 2023 - Wiley Online Library
Abstract A series of new 1, 3, 4‐oxadiazole‐chalcone/benzimidazole hybrids 9a–o and 10a–
k were designed and synthesized as potential antiproliferative agents. Hybrids 9a–o …

DFT investigation of a Zn-doped carbon nanocone for the drug delivery of methylated aspirins

AG Gol, J Akbari, M Khalaj, SM Mousavi-Safavi… - Computational and …, 2023 - Elsevier
A zinc-doped (Zn-doped) carbon nanocone (NANO) was investigated in this work for the
drug delivery of aspirin (ASP) and eight methylated derivatives (A1-A8). Geometries of the …

A DFT study on the potential application of pristine, B and N doped carbon nanocones in potassium-ion batteries

HM Berenjaghi, S Mansouri, J Beheshtian - Journal of Molecular Modeling, 2021 - Springer
Although lithium-ion batteries are broadly applied for various purposes, they suffer from
safety problems, high cost, and short life. Due to widespread availability, low cost, and …

The Cd-decorated AlN nanotube as a potential chemical sensor for chloropicrin: DFT studies

MM Kadhim, ZT Abed, R Rayid, SA Abdullaha… - Computational and …, 2023 - Elsevier
The density functional theory computations were performed in order to investigate the impact
of Cd-decoration upon the capability of an AlN nanotube (AlN-NT) in in detecting …

Quantum chemical exploration of B2C2N2 nanosheet as anticancer drug delivery substrate

N Kosar, M Amjad, MZ Ahmed, M Raja… - Computational and …, 2024 - Elsevier
Inorganic nanosheets, such as B 2 N 2 C 2, are a focus of research for advanced materials.
B 2 N 2 C 2 exhibits exceptional thermal stability, high mechanical strength, and excellent …