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Computer-aided drug design and ADMET predictions for identification and evaluation of novel potential farnesyltransferase inhibitors in cancer therapy
(ELSEVIER SCIENCE INC, 2010)
We have used various computational methodologies including molecular dynamics, density functional theory, virtual screening, ADMET predictions and molecular interaction field studies to design and analyze four novel potential ...
New PPAR alpha/gamma/delta Optimal Activator Rationally Designed by Computational Methods
(Soc Brasileira Quimica, 2016-09-01)
The peroxisome proliferator-activated receptor gamma (PPAR gamma) is a nuclear receptor that acts as a transcription factor, regulating glucose, lipid and inflammation signaling and it is exploited in type 2 diabetes ...
Withalutin, a new cytotoxic withanolide from Athenaea velutina (Sendtn.) D'Arcy
(Taylor & Francis Health Sciences, 2022)
Larvicidal activities of 2-Aryl-2,3-Dihydroquinazolin -4-ones against malaria vector Anopheles arabiensis, In Silico ADMET prediction and molecular target investigation
(Molecular Diversity Preservation International, 2020-03)
Malaria, affecting all continents, remains one of the life-threatening diseases introduced by parasites that are transmitted to humans through the bites of infected Anopheles mosquitoes. Although insecticides are currently ...
Abordagem in silico na avaliação da relação entre permeabilidade e sensibilização cutânea
(Universidade Federal de São Paulo, 2021-12-10)
Em meio as transformações da sociedade e questionamentos sobre a necessidade do uso de animais em pesquisa, a utilização de métodos alternativos faz-se cada vez mais necessária. Diversos países reavaliaram as regulamentações ...
Estudo de Chalconas como Antibacterianos Potenciais: Síntese, Avaliação da Ação Antibacteriana e das Propriedades Físico-químicas
(Universidade Federal do Pampa, 2015)
COVID-19 treatment: Much research and testing, but far, few magic bullets against SARS-CoV-2 coronavirus
The new virus of the of β-Coronaviruses genus, SARS-CoV-2, is the causative agent of coronavirus disease2019 (COVID-19) and is winning a proverbial chess match against all players simultaneous, including
physicians, ...