Revisão de Informática Médica

De FMWiki
Ir para navegação Ir para pesquisar

Esta página existe para ajudar na condução do trabalho de revisão da disciplina de Informática Médica.

Artigo

Proposta de título: Recent nanoinformatics approaches for developments in nanobiotechnology and nanomedicine

Nanobiotecnologia e Nanoinformática

Busca

O termo "nanoinformática" não possui descritor definido no MeSH. Por esse motivo, uma busca no portal PubMed com os termos 

"Nanoparticle Drug Delivery System"[MeSH Terms] AND "nanoinformatics"[All Fields]

não retorna nenhum resultado.

Dessa forma, utilizamos o portal Web of Science para realizar a busca de forma mais abrangente. Foi realizada uma busca pelo termo "Nanoinformatics" no campo "Tópico", que resultou em 131 resultados. Foram utilizados os seguintes filtros:

  • Open Access (65 resultados)
  • Exclusivamente artigos, excluindo reviews e anais de conferências (43 resultados)
  • Artigos publicados nos últimos 3 anos (14 resultados)

Foi realizada uma triagem sobre os 14 artigos selecionados, de forma a selecionar aqueles tratando de temas relacionados à nanomedicina e à nanobiotecnologia.

A lista dos artigos encontrados está nesta planilha.


Artigos

Modeling of clearance, retention, and translocation of inhaled gold nanoparticles in rats

Krikas, A; Neofytou, P; Gakis, GP; Xiarchos, I; Charitidis, C; Tran, L

Excertos

  • Physiologically based pharmacokinetic (PBPK) modeling is a computational approach that simulates the absorption, distribution, metabolism, and elimination (ADME) of chemicals and/or NP in the body using mathematical equation. Recently, the PBPK term was considered to be synonymous to a generalized term, the PBK term, since it is no limited to pharmacokinetics but alsoapplies for biokinetics and toxicokinetics
  • Particle transitions are described as differential equations quantifying the transport of particles from one compartmentto another, where the compartments represent various organs, between which the particles successively translocate.
  • In this study, a rat physiologically based kinetic (PBK) model is developed for the biodistribution assessment of inhaled AuNPs.
  • Finally, the work in this paper presents a computational framework for the biodistribution of inhaled NPs in rats.

A Nanoinformatics Approach to Evaluate the Pharmacological Properties of Nanoparticles for the Treatment of Alzheimer's Disease

Nawaz, MZ; Attique, SA; Qurat-Ul-Ain; Alshammari, FA; Alhamdi, HW; Alghamdi, HA; Yan, W

Excertos
  • There is a growing requirement to recognize new drugs with potential therapeutic ability against AD because many studies have reported the various side effects associated with the traditional AD drugs such as tacrine and physostigmine. Due to their side effects, many of these drugs have been banned in many countries, including the United States.
  • Nanomaterials such as graphene, metals, carbon nanotubes and metal oxides have been reported in the literature as a potential therapeutic agent against AD. Characteristics of nanomaterials, including the large surface area, which provides clinical efficiency, drug designing and delivery for the treatment of AD make them suitable for use in medicine.
  • Nanoparticles (NPs) are the most dominant candidates either to be used as drugs or drug delivery because they can cross the cell membrane and brain-blood barriers.
  • Nanoparticles have been reported to cause certain toxic effects such as mesothelioma and even could be carcinogenic. However, it has been demonstrated that harmful aspects of the NPs are not the actual consequence of the material but shape, therefore, NP morphology is the key in reducing their toxicity.
  • To confirm the bioavailability of NPs, ADME analysis that includes absorption, distribution, metabolism, and excretion of NP in the brain and gastrointestinal tract was performed using Lipinski’s rule of five or Swiss ADME in this study.
Notas

Esse artigo fala que usa a Regra de Lipinski mas cita um artigo que *critica* a regra. Pra um artigo que diz que quer avaliar propriedades farmacológicas é meio contraproducente usar uma regra que tem sido considerada antiquada. Além disso, ele ainda faz a análise de "regra dos 5" de forma incompleta.

Molecular nanoinformatics approach assessing the biocompatibility of biogenic silver nanoparticles with channelized intrinsic steatosis and apoptosis

Panda, PK; Kumari, P; Patel, P; Samal, SK; Mishra, S; Tambuwala, MM; Dutt, A; Hilscherova, K; Mishra, YK; Varma, RS; Suar, M; Ahuja, R; Verma, SK

  • Ano: 2022
  • Páginas: 21
  • Categorias: Chemistry, Multidisciplinary; Green & Sustainable Science & Technology
  • DOI: 10.1039/d1gc04103g
  • Citações: 13

Excertos

  • The exploration of toxicity in zebrafish embryos and adult zebrafish has revealed that AgNPs exhibits cytotoxicity at molecular and atomic levels by inducing oxidative stress and apoptosis as a consequence of their dose-dependent internalization that influences protein machinery through their molecular interaction and accumulation at the surface of cells.
  • (...) this study explores the detailed mechanism of biocompatibility of AgNPs concerning lipid metabolism through the combination of experimental and computational approaches.
  • Herein, a successful synthesis of AgNPs has been accomplished by deploying abundant and innocuous plant species commonly referred to as silver grass (Miscanthus sinensis) that is native to Eastern Asia and the American continent and widely cultivated as an ornamental plant and also deployed for bioenergy production.
  • The structure of AgNP was studied using atomic simulation environment (ASE) and its geometry was optimized with DFT formalism using the first principles density functional theory within the framework of VASP package.42–44 The Hamiltonian ion-electron interactions were dealt with by the generalization of the pseudopotential in the linear augmented-plane-wave (PAW-PBE) procedure. In contrast, the exchange and correlation parts inside the generalized gradient approach (GGA) were estimated in the parameterization of Perdew–Burke–Ernzerhof (PBE).45 We elucidated the AgNPs deformation mechanism using DFT formalism.

Notas

Characterization of folic acid-functionalized PLA-PEG nanomicelle to deliver Letrozole: A nanoinformatics study

Rostami, N; Davarnejad, R

  • Ano: 2022
  • Páginas: 12
  • Categorias: Biochemical Research Methods; Nanoscience & Nanotechnology
  • DOI: 10.1049/nbt2.12073
  • Citações: 8

Excertos

  • In this investigation, molecular docking, molecular dynamics (MD) and free energy calculation are applied to investigate the dynamic and thermodynamic behaviours of Letrozole/PLA−PEG and Letrozole/PLA−PEG‐FA with di‐palmitoyl‐phosphatidyl‐choline (DPPC) membrane at the atomic level.
  • Molecular dynamics also known as the computational molecular microscope is an approach for studying biological systems at the atomic scale. Here, MD was implemented to evaluate the extent of water and NMs’ penetration into the membrane, membrane disruption and interaction of designed nanostructures with membranes in an environment similar to the physiological condition.
  • The molecular mechanics–Poisson Boltzmann surface area (MM–PBSA) function is a widely used approach in the investigation of free energy to determine the stability of systems. (...) In this tool, the total free energy of the system is determined by calculating the energy terms such as solvation free energy (Gpolar + Gnonpolar) and molecular mechanics potential energy (EM bonded + (EvdW + Eelec)).
  • Regarding the purpose of the current study, the output trajectory files were conducted to the free energy calculation process for further evaluation. (...) Furthermore, the MmPbSaStat.py script was used to calculate the binding energy.

Notas

A Machine Learning Tool to Predict the Antibacterial Capacity of Nanoparticles

Mirzaei, M; Furxhi, I; Murphy, F; Mullins, M

  • Ano: 2021
  • Páginas: 18
  • Categorias: Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied
  • DOI: 10.3390/nano11071774
  • Citações: 22

Excertos

Notas

Principles and requirements for nanomaterial representations to facilitate machine processing and cooperation with nanoinformatics tools

Blekos, K; Chairetakis, K; Lynch, I; Marcoulaki, E

  • Ano: 2023
  • Páginas: 17
  • Categorias: Chemistry, Multidisciplinary; Computer Science, Information Systems; Computer Science, Interdisciplinary Applications
  • DOI: 10.1186/s13321-022-00669-6
  • Citações: 2

Excertos

Notas

Disponível em “https://wiki.fmneto.com/index.php?title=Revisão_de_Informática_Médica&oldid=127”