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Mark J. Arcario
University of Illinois at Urbana–Champaign
ChemistryLipid bilayerMembraneBiochemistryPeripheral membrane protein
19Publications
10H-index
271Citations
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Publications 19
Newest
#1Mark J. Arcario (UIUC: University of Illinois at Urbana–Champaign)H-Index: 10
#2Christopher G. Mayne (UIUC: University of Illinois at Urbana–Champaign)H-Index: 15
Last. Emad Tajkhorshid (UIUC: University of Illinois at Urbana–Champaign)H-Index: 57
view all 3 authors...
Abstract General anesthetics exert their effects on the central nervous system by acting on ion channels, most notably pentameric ligand−gated ion channels (pLGICs). Although numerous studies have focused on pLGICs, the details of anesthetic binding and channel modulation remains debated. A better understanding of anesthetic mechanism of action is necessary for the development of safer and more efficacious drugs. Herein, we present a computational study identifying two anesthetic binding sites i...
6 CitationsSource
#1Christopher G. Mayne (UIUC: University of Illinois at Urbana–Champaign)H-Index: 15
#2Mark J. Arcario (UIUC: University of Illinois at Urbana–Champaign)H-Index: 10
Last. Emad TajkhorshidH-Index: 57
view all 9 authors...
The cellular membrane constitutes the first element that encounters a wide variety of molecular species to which a cell might be exposed. Hosting a large number of structurally and functionally diverse proteins associated with this key metabolic compartment, the membrane not only directly controls the traffic of various molecules in and out of the cell, it also participates in such diverse and important processes as signal transduction and chemical processing of incoming molecular species. In th...
13 CitationsSource
#1Javier L. Baylon (UIUC: University of Illinois at Urbana–Champaign)H-Index: 10
#2Josh V. Vermaas (UIUC: University of Illinois at Urbana–Champaign)H-Index: 10
Last. Emad TajkhorshidH-Index: 57
view all 6 authors...
Abstract Peripheral membrane proteins are structurally diverse proteins that are involved in fundamental cellular processes. Their activity of these proteins is frequently modulated through their interaction with cellular membranes, and as a result techniques to study the interfacial interaction between peripheral proteins and the membrane are in high demand. Due to the fluid nature of the membrane and the reversibility of protein–membrane interactions, the experimental study of these systems re...
16 CitationsSource
#1Josh V. Vermaas (UIUC: University of Illinois at Urbana–Champaign)H-Index: 10
#2Javier L. Baylon (UIUC: University of Illinois at Urbana–Champaign)H-Index: 10
Last. Emad Tajkhorshid (UIUC: University of Illinois at Urbana–Champaign)H-Index: 57
view all 7 authors...
Biological membranes constitute a critical component in all living cells. In addition to providing a conducive environment to a wide range of cellular processes, including transport and signaling, mounting evidence has established active participation of specific lipids in modulating membrane protein function through various mechanisms. Understanding lipid–protein interactions underlying these mechanisms at a sufficiently high resolution has proven extremely challenging, partly due to the semi-f...
17 CitationsSource
#1Mark J. Arcario (UIUC: University of Illinois at Urbana–Champaign)H-Index: 10
#2Emad Tajkhorshid (UIUC: University of Illinois at Urbana–Champaign)H-Index: 57
Experimental challenges associated with characterization of the membrane-bound form of talin have prevented us from understanding the molecular mechanism of its membrane-dependent integrin activation. Here, utilizing what we believe to be a novel membrane mimetic model, we present a reproducible model of membrane-bound talin observed across multiple independent simulations. We characterize both local and global membrane-induced structural transitions that successfully reconcile discrepancies bet...
23 CitationsSource
#1Andrew E. Blanchard (UIUC: University of Illinois at Urbana–Champaign)H-Index: 7
#2Mark J. Arcario (UIUC: University of Illinois at Urbana–Champaign)H-Index: 10
Last. Emad Tajkhorshid (UIUC: University of Illinois at Urbana–Champaign)H-Index: 57
view all 4 authors...
The SNARE complex plays a vital role in vesicle fusion arising during neuronal exocytosis. Key components in the regulation of SNARE complex formation, and ultimately fusion, are the transmembrane and linker regions of the vesicle-associated protein, synaptobrevin. However, the membrane-embedded structure of synaptobrevin in its prefusion state, which determines its interaction with other SNARE proteins during fusion, is largely unknown. This study reports all-atom molecular-dynamics simulations...
20 CitationsSource
#1Mark J. Arcario (UIUC: University of Illinois at Urbana–Champaign)H-Index: 10
#2Christopher G. Mayne (UIUC: University of Illinois at Urbana–Champaign)H-Index: 15
Last. Emad TajkhorshidH-Index: 57
view all 3 authors...
While small molecules have been used to induce anesthesia in a clinical setting for well over a century, a detailed understanding of the molecular mechanism remains elusive. In this study, we utilize ab initio calculations to develop a novel set of CHARMM-compatible parameters for the ubiquitous modern anesthetics desflurane, isoflurane, sevoflurane, and propofol for use in molecular dynamics (MD) simulations. The parameters generated were rigorously tested against known experimental physicochem...
12 CitationsSource
#1Taras V. Pogorelov (UIUC: University of Illinois at Urbana–Champaign)H-Index: 12
#2Josh V. Vermaas (UIUC: University of Illinois at Urbana–Champaign)H-Index: 10
Last. Emad TajkhorshidH-Index: 57
view all 4 authors...
Energetics of protein side chain partitioning between aqueous solution and cellular membranes is of fundamental importance for correctly capturing the membrane binding and specific protein–lipid interactions of peripheral membrane proteins. We recently reported a highly mobile membrane mimetic (HMMM) model that accelerates lipid dynamics by modeling the membrane interior partially as a fluid organic solvent while retaining a literal description of the lipid head groups and the beginning of the t...
24 CitationsSource
#1Mark J. Arcario (UIUC: University of Illinois at Urbana–Champaign)H-Index: 10
#2Emad Tajkhorshid (UIUC: University of Illinois at Urbana–Champaign)H-Index: 57
Although anesthetics have been in use for over 150 years, the molecular mechanism behind their action is still poorly understood. Ligand-gated ion channels have been identified as the targets of these drugs, but it is unknown how anesthetics exert their effects. Previous simulations from our group have uncovered a membrane-dependent entrance mechanism, whereby the anesthetic partitions to the membrane prior to binding a transmembrane site identified in crystal structures. To probe for additional...
Source
#1Mark J. Arcario (UIUC: University of Illinois at Urbana–Champaign)H-Index: 10
#2Emad Tajkhorshid (UIUC: University of Illinois at Urbana–Champaign)H-Index: 57
General anesthetics have, arguably, been one of the most important advances in medicine. Yet despite over a century of research, the mechanism of general anesthesia is still poorly understood. While it is well accepted that the biological targets of anesthetics are the ligand-gated ion channels of the Cys-loop superfamily, how anesthetics affect channel gating dynamics is unknown. Recently, bacterial homologues of these channels have been crystallized with anesthetics bound, making the problem m...
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