| Title : Integrative In Silico and In Vivo Evidence of Quercetin as a Multitarget Neuroprotective Agent in Alzheimer's Disease - de Oliveira_2026_ACS.Omega_11_27115 |
| Author(s) : de Oliveira TM , Pereira Bento LD , Santos de Melo Wiermann I , de Souza Fonseca B , Tsui GS , Pereira de Jesus CJ , Sales RO , Pereira Prado MA , de Castro MS , Reis Moura JP , Gomes EN , Bastos LB , Lima Orsine IC , de Souza Esteves L , Silva Soares MC , Falkoski DL , da Silva MP , de Oliveira TA , da Silva AM , Bechelane Maia EH , Andrade Leite FH , Valle MS , de Carvalho PB , Costa Vanessa Pereira Mendes L , Taranto AG , Moreira Damazio LC |
| Ref : ACS Omega , 11 :27115 , 2026 |
|
Abstract :
Alzheimer's disease requires therapeutic strategies targeting multiple pathological mechanisms. This study investigates the neuroprotective potential of quercetin using an integrated approach combining in silico modeling and in vivo validation. Computational analyses examined the binding behavior of quercetin toward three key enzymes implicated in disease pathophysiology: acetylcholinesterase, butyrylcholinesterase, and beta-secretase 1. Molecular dynamics simulations reveal consistent interaction patterns and stable binding profiles across independent trajectories. For experimental validation, Wistar rats with surgically induced Alzheimer's disease were orally treated with quercetin (30 mg/kg) for 5 weeks. Histological and immunohistochemical analyses of the hippocampus and subventricular zone evaluated neuronal density and astrocytic activation using glial fibrillary acidic protein and vimentin markers. Computational results supported the multitarget potential of quercetin through stable enzyme interactions. Consistently, in vivo assays demonstrated increased neuronal density and reduced astrocytic marker expression, suggesting a protective modulation of neuroinflammatory processes. These findings highlight quercetin as a promising scaffold for multitarget therapeutic strategies aimed at mitigating the progression of Alzheimer's disease. |
| PubMedSearch : de Oliveira_2026_ACS.Omega_11_27115 |
| PubMedID: 42146216 |
| Inhibitor | Quercetin |
de Oliveira TM, Pereira Bento LD, Santos de Melo Wiermann I, de Souza Fonseca B, Tsui GS, Pereira de Jesus CJ, Sales RO, Pereira Prado MA, de Castro MS, Reis Moura JP, Gomes EN, Bastos LB, Lima Orsine IC, de Souza Esteves L, Silva Soares MC, Falkoski DL, da Silva MP, de Oliveira TA, da Silva AM, Bechelane Maia EH, Andrade Leite FH, Valle MS, de Carvalho PB, Costa Vanessa Pereira Mendes L, Taranto AG, Moreira Damazio LC (2026)
Integrative In Silico and In Vivo Evidence of Quercetin as a Multitarget Neuroprotective Agent in Alzheimer's Disease
ACS Omega
11 :27115
de Oliveira TM, Pereira Bento LD, Santos de Melo Wiermann I, de Souza Fonseca B, Tsui GS, Pereira de Jesus CJ, Sales RO, Pereira Prado MA, de Castro MS, Reis Moura JP, Gomes EN, Bastos LB, Lima Orsine IC, de Souza Esteves L, Silva Soares MC, Falkoski DL, da Silva MP, de Oliveira TA, da Silva AM, Bechelane Maia EH, Andrade Leite FH, Valle MS, de Carvalho PB, Costa Vanessa Pereira Mendes L, Taranto AG, Moreira Damazio LC (2026)
ACS Omega
11 :27115