Mechanistic understanding from molecular dynamics simulation in pharmaceutical research 1: drug delivery
In this review, we outline the growing role that molecular dynamics simulation is able to play
as a design tool in drug delivery. We cover both the pharmaceutical and computational …
as a design tool in drug delivery. We cover both the pharmaceutical and computational …
Molecular interpretation of pharmaceuticals' adsorption on carbon nanomaterials: theory meets experiments
D Veclani, M Tolazzi, A Melchior - Processes, 2020 - mdpi.com
The ability of carbon-based nanomaterials (CNM) to interact with a variety of pharmaceutical
drugs can be exploited in many applications. In particular, they have been studied both as …
drugs can be exploited in many applications. In particular, they have been studied both as …
Insights into the adsorption mechanism of tetracycline on hierarchically porous carbon and the effect of nanoporous geometry
Hierarchically porous carbons (HPCs) have been shown to be effective adsorbents for
removing emerging pollutants such as antibiotics from water. To clarify the mechanisms of …
removing emerging pollutants such as antibiotics from water. To clarify the mechanisms of …
Adsorption and encapsulation of the drug doxorubicin on covalent functionalized carbon nanotubes: A scrutinized study by using molecular dynamics simulation and …
Adsorption of the drug doxorubicin (DOX) onto covalent functionalized carbon nanotubes
(CNTs) as drug carriers was studied by employing molecular dynamics (MD) simulation …
(CNTs) as drug carriers was studied by employing molecular dynamics (MD) simulation …
The functionalization of carbon nanotubes to enhance the efficacy of the anticancer drug paclitaxel: a molecular dynamics simulation study
H Hashemzadeh, H Raissi - Journal of Molecular Modeling, 2017 - Springer
Carbon nanotubes (CNTs) are widely used in drug delivery systems (DDSs) due to their
unique chemical and physical properties. Investigation of interactions between biomolecules …
unique chemical and physical properties. Investigation of interactions between biomolecules …
Investigation of the pristine and functionalized carbon nanotubes as a delivery system for the anticancer drug dacarbazine: drug encapsulation
Abstract Carbon Nanotubes (CNTs) have been used as the systems in drug delivery due to
their exceptional physical and chemical properties. In this study, the adsorption of an …
their exceptional physical and chemical properties. In this study, the adsorption of an …
Functionalization of single and multi-walled carbon nanotubes with polypropylene glycol decorated pyrrole for the development of doxorubicin nano-conveyors for …
C Pennetta, G Floresta, ACE Graziano, V Cardile… - Nanomaterials, 2020 - mdpi.com
A recently reported functionalization of single and multi-walled carbon nanotubes, based on
a cycloaddition reaction between carbon nanotubes and a pyrrole derived compound, was …
a cycloaddition reaction between carbon nanotubes and a pyrrole derived compound, was …
Molecular dynamics simulation study of doxorubicin adsorption on functionalized carbon nanotubes with folic acid and tryptophan
T Arabian, S Amjad-Iranagh, R Halladj - Scientific reports, 2021 - nature.com
In this work, molecular dynamics (MD) simulation is used to study the adsorption of the
anticancer drug, doxorubicin (DOX), on the wall or surface of pristine and functionalized …
anticancer drug, doxorubicin (DOX), on the wall or surface of pristine and functionalized …
Facial synthesis of an efficient magnetic composite adsorbent using multiwalled carbon nanotubes and frankincense resin for the removal of amoxicillin …
SS Hussaini, M Hussain, M Asim, A Al-Balushi… - Journal of Molecular …, 2023 - Elsevier
We developed a new composite material (Fr@ MMWCNTs) consisting of multi-walled
carbon nanotubes (MWCNTs) and frankincense gum (Fr-gum) functionalized with magnetic …
carbon nanotubes (MWCNTs) and frankincense gum (Fr-gum) functionalized with magnetic …
Predicting doxorubicin drug delivery by single-walled carbon nanotube through cell membrane in the absence and presence of nicotine molecules: a molecular …
In order to study the interaction of the anticancer agent Doxorubicin with the single-walled
carbon nanotubes with different diameters as drug delivery systems, the molecular dynamics …
carbon nanotubes with different diameters as drug delivery systems, the molecular dynamics …