DFT investigation on the application of pure and doped X12N12 (X = B and Al) fullerene-like nano-cages toward the adsorption of temozolomide
BL Ndjopme Wandji… - Royal Society …, 2022 - royalsocietypublishing.org
The sensitivity of pure and doped X12N12 (X= B and Al) fullerene-like nano-cages (FLNs)
toward the anti-cancer drug temozolomide (TMZ) is probed herein at DFT/M06-2X-D3/6 …
toward the anti-cancer drug temozolomide (TMZ) is probed herein at DFT/M06-2X-D3/6 …
Modeling and simulation of carbon nanotube amino-acid sensor: A first-principles study
In this study, we have investigated a single-walled carbon nanotube (SWCNT) based device
to detect the essential amino acids, Glutamine and Tryptophan, by analyzing changes in …
to detect the essential amino acids, Glutamine and Tryptophan, by analyzing changes in …
Non-covalent interactions on polymer-graphene nanocomposites and their effects on the electrical conductivity
JL Apátiga, RM Del Castillo, LF Del Castillo, AG Calles… - Polymers, 2021 - mdpi.com
It is well known that a small number of graphene nanoparticles embedded in polymers
enhance the electrical conductivity; the polymer changes from being an insulator to a …
enhance the electrical conductivity; the polymer changes from being an insulator to a …
Understanding the adsorption performance of hetero-nanocages (C 12–B 6 N 6, C 12–Al 6 N 6, and B 6 N 6–Al 6 N 6) towards hydroxyurea anticancer drug: a …
Cancer is a paramount health challenge to global health, which forms tumors that can
invade nearby tissues and spread to neighboring cells. Recently, nanotechnology has been …
invade nearby tissues and spread to neighboring cells. Recently, nanotechnology has been …
Main interactions of dopamine and risperidone with the dopamine D2 receptor
Psychosis is one of the psychiatric disorders that is controlled by dopaminergic drugs such
as antipsychotics that have affinity for the dopamine D2 receptor (DRD2). In this …
as antipsychotics that have affinity for the dopamine D2 receptor (DRD2). In this …
Electron Donor–Acceptor Properties of Different Muscarinic Ligands: On the Road to Control Schizophrenia
G Goode-Romero, L Dominguez… - Journal of Chemical …, 2021 - ACS Publications
Schizophrenia is a severe neuropsychiatric disorder that deteriorates perception, affection,
and cognitive mental functions. The current treatments are mainly focused on the dopamine …
and cognitive mental functions. The current treatments are mainly focused on the dopamine …
Salt bridge: key interaction between antipsychotics and receptors
G Padilla-Bernal, R Vargas, A Martínez - Theoretical Chemistry Accounts, 2023 - Springer
Schizophrenia is a common psychiatric disorder that affects people's thinking, feelings and
behavior. One treatment of choice is the use of antipsychotic drugs. The mechanism of …
behavior. One treatment of choice is the use of antipsychotic drugs. The mechanism of …
Copper and neurodegenerative disorders: potential drugs for possible successful treatment
A Martínez, R Vargas, SE Pérez-Figueroa… - Theoretical Chemistry …, 2021 - Springer
Neurodegenerative disorders are by far the most difficult conditions to control. Wilson's and
Parkinson's disease are neurodegenerative disorder associated with an excessive …
Parkinson's disease are neurodegenerative disorder associated with an excessive …
Panic and depressive disorders: DAM related to symptom control
A Martínez - Computational and Theoretical Chemistry, 2023 - Elsevier
Panic attack is frightening and sudden episode, which coexists with major depressive
disorders. Three classes of drugs to control panic and depressive disorders are …
disorders. Three classes of drugs to control panic and depressive disorders are …