scholarly journals Theoretical study of interaction between aspirine drug and Al-soped graphene nanostructure toward designing of suitable nanocarrier for drug delivery

2020 ◽  
Vol 30 (2) ◽  
pp. 141-154
Author(s):  
Sara Farshad ◽  
Masoud Darvish Ganji ◽  
◽  
Keyword(s):  
Drug Delivery ◽  
Theoretical Study ◽  
Graphene Nanostructure

Experimental and Theoretical Study of Doxorubicin Physicochemical Interaction with BN(O) Drug Delivery Nanocarriers

2018 ◽  
Vol 122 (46) ◽  
pp. 26409-26418 ◽  
Author(s):  
Elizaveta S. Permyakova ◽  
Liubov Yu. Antipina ◽  
Andrey M. Kovalskii ◽  
Irina Y. Zhitnyak ◽  
Kristina Yu. Gudz ◽  
...  
Keyword(s):  
Drug Delivery ◽  
Theoretical Study ◽  
Physicochemical Interaction

A new type of heteroborospherene as a versatile carrier for drug delivery: A theoretical study

2020 ◽  
Vol 117 ◽  
pp. 113852 ◽  
Author(s):  
Luyi Li ◽  
Xin Jiang ◽  
Hongzhu Wang ◽  
Hao Wu ◽  
Jieqiang Lv ◽  
...  
Keyword(s):  
Drug Delivery ◽  
Theoretical Study ◽  
New Type

5-Aminolevulinic acid functionalized boron-nitride and carbon nanotubes as drug delivery vehicles for skin anticancer drugs: a theoretical study

RSC Advances ◽  
2016 ◽  
Vol 6 (95) ◽  
pp. 92547-92559 ◽  
Author(s):  
Pabitra Narayan Samanta ◽  
Kalyan Kumar Das
Keyword(s):  
Carbon Nanotubes ◽  
Drug Delivery ◽  
Boron Nitride ◽  
Theoretical Study ◽  
Aminolevulinic Acid ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Drug Molecule ◽  
Drug Delivery Vehicles ◽  
Delivery Vehicles

A quantum chemical study has been made on the interaction of 5-aminolevulinic acid (ALA) drug molecule with boron-nitride and carbon nanotubes so as to use these nanomaterials as drug-delivery vehicles.

scholarly journals Neutral Rhenadicarbaboranes with Re(CO)2(NO) Vertices: A Theoretical Study of Building Blocks for Rhenacarborane-Based Drug Delivery Agents

Molecules ◽  
2019 ◽  
Vol 25 (1) ◽  
pp. 110 ◽  
Author(s):  
Amr A. A. Attia ◽  
Alexandru Lupan ◽  
Radu Silaghi-Dumitrescu ◽  
R. Bruce King
Keyword(s):  
Drug Delivery ◽  
Density Functional Theory ◽  
Carbon Atom ◽  
Related Species ◽  
Density Functional ◽  
Theoretical Study ◽  
Building Blocks ◽  
Rhenium Atom ◽  
Functional Theory

The rhenadicarbaborane carbonyl nitrosyls (C2Bn−3Hn−1)Re(CO)2(NO), (n = 8 to 12), of interest in drug delivery agents based on the experimentally known C2B9H11Re(CO)2(NO) and related species, have been investigated by density functional theory. The lowest energy structures of these rhenadicarbaboranes are all found to have central ReC2Bn−3 most spherical closo deltahedra in accord with their 2n + 2 Wadean skeletal electrons. Carbon atoms are found to be located preferentially at degree 4 vertices in such structures. Furthermore, rhenium atoms are preferentially located at a highest degree vertex, typically a vertex of degree 5. Only for the 9-vertex C2B6H8Re(CO)2(NO) system are alternative isocloso deltahedral isomers found within ~8 kcal/mol of the lowest energy closo isomer. Such 9-vertex isocloso structures provide a degree 6 vertex for the rhenium atom flanked by degree 4 vertices for each carbon atom.

Biophysical chemistry of macrocycles for drug delivery: a theoretical study

2011 ◽  
Vol 60 (2) ◽  
pp. 238-241
Author(s):  
B. Khalili Hadad ◽  
F. Mollaamin ◽  
M. Monajjemi
Keyword(s):  
Drug Delivery ◽  
Theoretical Study ◽  
Biophysical Chemistry

Drug-Polymer Interactions in Hydrogel-based Drug-Delivery Systems: An Experimental and Theoretical Study

ChemPhysChem ◽  
2015 ◽  
Vol 16 (13) ◽  
pp. 2818-2825 ◽  
Author(s):  
Filippo Rossi ◽  
Franca Castiglione ◽  
Monica Ferro ◽  
Paolo Marchini ◽  
Emanuele Mauri ◽  
...  
Keyword(s):  
Drug Delivery ◽  
Drug Delivery Systems ◽  
Theoretical Study ◽  
Delivery Systems ◽  
Polymer Interactions

scholarly journals A Theoretical Study of Polymer-Based Drug Delivery Systems

2015 ◽  
Vol 108 (2) ◽  
pp. 633a-634a
Author(s):  
Ebtisam A. Aldaais ◽  
Mark J. Uline
Keyword(s):  
Drug Delivery ◽  
Drug Delivery Systems ◽  
Theoretical Study ◽  
Delivery Systems
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