Rezvan Shahoei
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View article: Mechanistic insights into ligand dissociation from the SARS-CoV-2 spike glycoprotein
Mechanistic insights into ligand dissociation from the SARS-CoV-2 spike glycoprotein Open
The COVID-19 pandemic, driven by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), has spurred an urgent need for effective therapeutic interventions. The spike glycoprotein of the SARS-CoV-2 is crucial for infiltrating hos…
View article: Mechanistic insights into ligand dissociation from the SARS-CoV-2 spike glycoprotein
Mechanistic insights into ligand dissociation from the SARS-CoV-2 spike glycoprotein Open
The COVID-19 pandemic, driven by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), has spurred an urgent need for effective therapeutic interventions. The spike glycoprotein of the SARS-CoV-2 is crucial for infiltrating hos…
View article: Basic residues at position 11 of α-conotoxin LvIA influence subtype selectivity between α3β2 and α3β4 nicotinic receptors via an electrostatic mechanism
Basic residues at position 11 of α-conotoxin LvIA influence subtype selectivity between α3β2 and α3β4 nicotinic receptors via an electrostatic mechanism Open
Understanding the determinants of α-conotoxin (α-CTX) selectivity for different nicotinic acetylcholine receptor (nAChR) subtypes is a requisite for the design of tool compounds to study nAChRs. However, selectivity optimization of these s…
View article: Basic residues at position 11 of α-conotoxin LvIA influence subtype selectivity between α3β2 and α3β4 nicotinic receptors via an electrostatic mechanism
Basic residues at position 11 of α-conotoxin LvIA influence subtype selectivity between α3β2 and α3β4 nicotinic receptors via an electrostatic mechanism Open
Understanding the determinants of α-conotoxin (α-CTX) selectivity for different nicotinic acetylcholine receptor (nAChR) subtypes is a requisite for the design of tool compounds to study nAChRs. However, selectivity optimization of these s…
View article: Molecular Modeling of ABHD5 Structure and Ligand Recognition
Molecular Modeling of ABHD5 Structure and Ligand Recognition Open
Alpha/beta hydrolase domain-containing 5 (ABHD5), also termed CGI-58, is the key upstream activator of adipose triglyceride lipase (ATGL), which plays an essential role in lipid metabolism and energy storage. Mutations in ABHD5 disrupt lip…
View article: Menthol Binding to the Human α4β2 Nicotinic Acetylcholine Receptor Facilitated by Its Strong Partitioning in the Membrane
Menthol Binding to the Human α4β2 Nicotinic Acetylcholine Receptor Facilitated by Its Strong Partitioning in the Membrane Open
We utilize various computational methodologies to study menthol's interaction with multiple organic phases, a lipid bilayer, and the human α4β2 nicotinic acetylcholine receptor (nAChR), the most abundant nAChR in the brain. First, force fi…
View article: Mechanism of gating and partial agonist action in the glycine receptor
Mechanism of gating and partial agonist action in the glycine receptor Open
Summary The glycine receptor is a pentameric, neurotransmitter-activated ion channel that transitions between closed/resting, open and desensitized states. Glycine, a full agonist, produces an open channel probability (Po) of ∼1.0 while pa…
View article: Menthol Stereoisomers Exhibit Different Effects on α4β2 nAChR Upregulation and Dopamine Neuron Spontaneous Firing
Menthol Stereoisomers Exhibit Different Effects on α4β2 nAChR Upregulation and Dopamine Neuron Spontaneous Firing Open
Menthol contributes to poor cessation rates among smokers, in part because menthol enhances nicotine reward and reinforcement. Mentholated tobacco products contain (−)-menthol and (+)-menthol, in varying proportions. We examined these two …
View article: Reconstitution and substrate specificity for isopentenyl pyrophosphate of the antiviral radical SAM enzyme viperin
Reconstitution and substrate specificity for isopentenyl pyrophosphate of the antiviral radical SAM enzyme viperin Open
View article: Quantitative Characterization of Domain Motions in Molecular Machines
Quantitative Characterization of Domain Motions in Molecular Machines Open
The\nwork of molecular machines such as the ribosome is accompanied\nby conformational changes, often characterized by relative motions\nof their domains. The method we have developed seeks to quantify these\nmotions in a general way, faci…
View article: Quantitative Characterization of Domain Motions in Molecular Machines
Quantitative Characterization of Domain Motions in Molecular Machines Open
The work of molecular machines such as the ribosome is accompanied by conformational changes, often characterized by relative motions of their domains. The method we have developed seeks to quantify these motions in a general way, facilita…
View article: Structure and Function of YidC, an Insertase that Channels Newly Synthesized Proteins into the Cell Membrane
Structure and Function of YidC, an Insertase that Channels Newly Synthesized Proteins into the Cell Membrane Open