Application of molecular dynamics simulation in self-assembled cancer nanomedicine

X Xu, A Liu, S Liu, Y Ma, X Zhang, M Zhang… - Biomaterials …, 2023 - spj.science.org
Self-assembled nanomedicine holds great potential in cancer theragnostic. The structures
and dynamics of nanomedicine can be affected by a variety of non-covalent interactions, so …

Self-assembled macrocycles: design strategies and emerging functions

D Talukdar, JM Kumar, B Gole - Crystal Growth & Design, 2023 - ACS Publications
Molecular self-assembly is an essential process in biological systems to perform
sophisticated functions. Along the same line, development of artificial self-assembled …

[HTML][HTML] PNIPAM/Hexakis as a thermosensitive drug delivery system for biomedical and pharmaceutical applications

S Pasban, H Raissi - Scientific reports, 2022 - nature.com
Many technologies ranging from drug delivery approaches to tissue engineering purposes
are beginning to benefit from the unique ability of “smart polymers.” As a special case …

[HTML][HTML] Supramolecular organic nanotubes for drug delivery

VS Saji - Materials Today Advances, 2022 - Elsevier
Organic nanotubes (ONTs) have entranced considerable research attention for their
potential applications in drug delivery, sensors, catalysts, optical devices …

Design of a new drug delivery platform based on surface functionalization 2D covalent organic frameworks

A Ghahari, H Raissi, F Farzad - Journal of the Taiwan Institute of Chemical …, 2021 - Elsevier
The adsorption mechanism of doxorubicin (DOX) on pristine covalent organic frameworks
(COF) and functionalized COF (F-COF) is investigated by using molecular dynamics (MD) …

Mapping physiological and pathological functions of cortical vasculature through aggregation-induced emission nanoprobes assisted quantitative, in vivo NIR-II …

J Meng, Z Feng, S Qian, C Wang, X Li, L Gao… - Biomaterials …, 2022 - Elsevier
Cerebrovascular disease includes all disorders that affect cerebrovascular and cerebral
circulation. Unfortunately, there is currently a lack of a systematic method to image blood …

[HTML][HTML] Interactions of boron nitride nanosheet with amino acids of differential polarity

F Najafi, F Farzad, S Pasban - Scientific Reports, 2022 - nature.com
Free amino acids represent a category of different biomolecules in the blood plasma, which
bond together to make up larger organic molecules such as peptides and proteins. Their …

[HTML][HTML] Nanotechnology-based approaches for targeting and delivery of drugs via Hexakis (m-PE) macrocycles

S Pasban, H Raissi - Scientific reports, 2021 - nature.com
Abstract Hexakis (m-phenylene ethynylene)(m-PE) macrocycles, with aromatic backbones
and multiple hydrogen-bonding side chains, had a very high propensity to self-assemble via …

The assessment of boron nitride nanotubes and functionalized carbon nanotubes as containers for anticancer drug delivery of dacarbazine and effect of urea on …

H Mirsalari, A Maleki, H Raissi, A Soltanabadi - Structural Chemistry, 2022 - Springer
The adsorption mechanism of dacarbazine (DAC) onto outer surfaces of boron nitride
nanotubes (BNNTs) and functionalized carbon nanotubes (FCNTs) with one and three drug …

Engineered nanoparticles as Selinexor drug delivery systems across the cell membrane and related signaling pathways in cancer cells

A Nakhaei, H Raissi, F Farzad - Journal of Molecular Graphics and …, 2024 - Elsevier
In the present work, molecular dynamics simulation is applied to evaluate the drug carrier
efficiency of graphene oxide nanoflake (GONF) for loading of Selinexor (SXR) drug as well …