Employment of Molecularly Imprinted Polymers to High‐Throughput Screen nNOS‐PSD‐95 Interruptions: Structure and Dynamics Investigations on Monomer–Template Complexation

Wang, Yongwei; Zhao, Ting; Dai, Peng; Jiang, Nan; Li, Fēi

doi:10.1002/cphc.201500941

Cited by 8 publications

(2 citation statements)

References 58 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…TLR4 may alter the expression of nNOS through the activity of MAPK/ErK at synaptic densities (Yao et al, 2012 ; Wang et al, 2016 ). Moreover, a reduction in the expression of nNOS, during inflammation, has been described in the loss of NO and GABA activity (Lethbridge et al, 2012 ; Di Mauro et al, 2013 ).…”

Section: Discussionmentioning

confidence: 99%

Systemic Sympathoexcitation Was Associated with Paraventricular Hypothalamic Phosphorylation of Synaptic CaMKIIα and MAPK/ErK

et al. 2017

View full text Add to dashboard Cite

Systemic administration of adrenergic agonist (Isoproterenol; ISOP) is known to facilitate cardiovascular changes associated with heart failure through an upregulation of cardiac toll-like receptor 4 (TLR4). Furthermore, previous studies have shown that cardiac tissue-specific deletion of TLR4 protects the heart against such damage. Since the autonomic regulation of systemic cardiovascular function originates from pre-autonomic sympathetic centers in the brain, it is unclear how a systemically driven sympathetic change may affect the pre-autonomic paraventricular hypothalamic nuclei (PVN) TLR4 expression. Here, we examined how change in PVN TLR4 was associated with alterations in the neurochemical cytoarchitecture of the PVN in systemic adrenergic activation. After 48 h of intraperitoneal 150 mg/kg ISOP treatment, there was a change in PVN CaMKIIα and MAPK/ErK expression, and an increase in TLR4 in expression. This was seen as an increase in p-MAPK/ErK, and a decrease in synaptic CaMKIIα expression in the PVN (p < 0.01) of ISOP treated mice. Furthermore, there was an upregulation of vesicular glutamate transporter (VGLUT 2; p < 0.01) and a decreased expression of GABA in the PVN of Isoproterenol (ISOP) treated WT mice (p < 0.01). However, after a PVN-specific knockdown of TLR4, the effect of systemic administration of ISOP was attenuated, as indicated by a decrease in p-MAPK/ErK (p < 0.01) and upregulation of CaMKIIα (p < 0.05). Additionally, loss of inhibitory function was averted while VGLUT2 expression decreased when compared with the ISOP treated wild type mice and the control. Taken together, the outcome of this study showed that systemic adrenergic activation may alter the expression, and phosphorylation of preautonomic MAPK/ErK and CaMKIIα downstream of TLR4. As such, by outlining the roles of these kinases in synaptic function, we have identified the significance of neural TLR4 in the progression, and attenuation of synaptic changes in the pre-autonomic sympathetic centers.

show abstract

Section: Discussionmentioning

confidence: 99%

Systemic Sympathoexcitation Was Associated with Paraventricular Hypothalamic Phosphorylation of Synaptic CaMKIIα and MAPK/ErK

et al. 2017

View full text Add to dashboard Cite

show abstract

“…Other computational studies of MIP pre-polymerization systems have used similar methods to investigate monomer-template interactions to aid in the selection or optimization of polymer composition. The majority of these reports focused on selection of the functional monomer but examples also include choice of solvent [119,[137][138][139][140] and template [120,[140][141][142]. In some instances, similar MD simulations of systems of limited complexity were employed in order to study putative monomer-template interactions [143][144][145][146][147][148][149][150][151][152][153][154][155] or to compare different stoichiometries [156][157][158].…”

Section: Fragment Screening-like Simulations Of Template-monomer Inte...mentioning

confidence: 99%

Molecular Dynamics in the Study and Development of Molecularly Imprinted Materials – Status Quo, Quo Vadis?

Nicholls¹,

Golker²,

Wiklander³

2022

Preprint

View full text Add to dashboard Cite

The past two decades have witnessed the introduction of and then a steady increase in the use of computational techniques in the study and development of molecularly imprinted polymers (MIPs). Molecular dynamics (MD) based studies have had a significant role in this development as they can provide insights concerning the mechanisms governing the molecular level events underlying MIP synthesis and MIP-ligand interactions and can be used for the identification of preferred monomer compositions and for the prediction of MIP properties. We here review the role that MD has played in the development of molecular imprinting and examine the different types of MD strategies that have been used, including their advantages and challenges. Recent trends in the application of MD to the study of MIPs are presented, along with a perspective on the future importance of MD-based studies for the development of molecular imprinting science and technology.

show abstract

Computational approaches in the design of synthetic receptors – A review

Cowen

Karim

Piletsky

2016

Analytica Chimica Acta

154

View full text Add to dashboard Cite

Employment of Molecularly Imprinted Polymers to High‐Throughput Screen nNOS‐PSD‐95 Interruptions: Structure and Dynamics Investigations on Monomer–Template Complexation

Cited by 8 publications

References 58 publications

Systemic Sympathoexcitation Was Associated with Paraventricular Hypothalamic Phosphorylation of Synaptic CaMKIIα and MAPK/ErK

Systemic Sympathoexcitation Was Associated with Paraventricular Hypothalamic Phosphorylation of Synaptic CaMKIIα and MAPK/ErK

Molecular Dynamics in the Study and Development of Molecularly Imprinted Materials – Status Quo, Quo Vadis?

Computational approaches in the design of synthetic receptors – A review

Contact Info

Product

Resources

About