Search Results - "Mouchlis, Varnavas D"

Advances in de Novo Drug Design: From Conventional to Machine Learning Methods by Mouchlis, Varnavas D, Afantitis, Antreas, Serra, Angela, Fratello, Michele, Papadiamantis, Anastasios G, Aidinis, Vassilis, Lynch, Iseult, Greco, Dario, Melagraki, Georgia

“… De novo drug design is a computational approach that generates novel molecular structures from atomic building blocks with no a priori relationships…”
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Omega-3 versus Omega-6 fatty acid availability is controlled by hydrophobic site geometries of phospholipase A2s by Hayashi, Daiki, Mouchlis, Varnavas D., Dennis, Edward A.

“…Human phospholipase A2s (PLA2) constitute a superfamily of enzymes that hydrolyze the sn-2 acyl-chain of glycerophospholipids, producing lysophospholipids and…”
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Review of four major distinct types of human phospholipase A2 by Vasquez, Alexis M., Mouchlis, Varnavas D., Dennis, Edward A.

“…The phospholipase A2 superfamily of enzymes plays a significant role in the development and progression of numerous inflammatory diseases. Through their…”
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Each phospholipase A2 type exhibits distinct selectivity toward sn-1 ester, alkyl ether, and vinyl ether phospholipids by Hayashi, Daiki, Mouchlis, Varnavas D., Dennis, Edward A.

“…Glycerophospholipids are major components of cell membranes and have enormous variation in the composition of fatty acyl chains esterified on the sn-1 and sn-2…”
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Computer-Aided Drug Design of β-Secretase, γ-Secretase and Anti-Tau Inhibitors for the Discovery of Novel Alzheimer's Therapeutics by Mouchlis, Varnavas D, Melagraki, Georgia, Zacharia, Lefteris C, Afantitis, Antreas

“…Aging-associated neurodegenerative diseases, which are characterized by progressive neuronal death and synapses loss in human brain, are rapidly growing…”
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Membranes serve as allosteric activators of phospholipase A₂, enabling it to extract, bind, and hydrolyze phospholipid substrates by Mouchlis, Varnavas D., Bucher, Denis, McCammon, J. Andrew, Dennis, Edward A.

“…Significance The catalytic mechanisms of interfacial enzymes acting directly on the interfacial surface of the membrane are notoriously difficult to study…”
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Phospholipase A2 catalysis and lipid mediator lipidomics by Mouchlis, Varnavas D., Dennis, Edward A.

“…Phospholipase A2 (PLA2) enzymes are the upstream regulators of the eicosanoid pathway liberating free arachidonic acid from the sn-2 position of membrane…”
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Identification of putative estrogen receptor-mediated endocrine disrupting chemicals using QSAR- and structure-based virtual screening approaches by Zhang, Liying, Sedykh, Alexander, Tripathi, Ashutosh, Zhu, Hao, Afantitis, Antreas, Mouchlis, Varnavas D., Melagraki, Georgia, Rusyn, Ivan, Tropsha, Alexander

“…Identification of endocrine disrupting chemicals is one of the important goals of environmental chemical hazard screening. We report on the development of…”
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2-Oxoesters: A Novel Class of Potent and Selective Inhibitors of Cytosolic Group IVA Phospholipase A2 by Kokotou, Maroula G., Galiatsatou, Gerasimia, Magrioti, Victoria, Koutoulogenis, Giorgos, Barbayianni, Efrosini, Limnios, Dimitris, Mouchlis, Varnavas D., Satpathy, Banita, Navratil, Aaron, Dennis, Edward A., Kokotos, George

“…Cytosolic phospholipase A 2 (GIVA cPLA 2 ) is the only PLA 2 that exhibits a marked preference for hydrolysis of arachidonic acid containing phospholipid…”
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Phospholipase A 2 catalysis and lipid mediator lipidomics by Mouchlis, Varnavas D, Dennis, Edward A

“…Phospholipase A (PLA ) enzymes are the upstream regulators of the eicosanoid pathway liberating free arachidonic acid from the sn-2 position of membrane…”
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2-Oxoester Phospholipase A2 Inhibitors with Enhanced Metabolic Stability by Koutoulogenis, Giorgos S., Kokotou, Maroula G., Hayashi, Daiki, Mouchlis, Varnavas D., Dennis, Edward A., Kokotos, George

“…2-Oxoesters constitute an important class of potent and selective inhibitors of human cytosolic phospholipase A2 (GIVA cPLA2) combining an aromatic scaffold or…”
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Highly Potent 2‑Oxoester Inhibitors of Cytosolic Phospholipase A2 (GIVA cPLA2) by Psarra, Anastasia, Kokotou, Maroula G, Galiatsatou, Gerasimia, Mouchlis, Varnavas D, Dennis, Edward A, Kokotos, George

“…Cytosolic phospholipase A2 (GIVA cPLA2) has attracted great interest as a medicinal target because it initiates the eicosanoid cascade and is involved in a…”
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Membrane Association Allosterically Regulates Phospholipase A2 Enzymes and Their Specificity by Mouchlis, Varnavas D., Dennis, Edward A.

“…Conspectus Water-soluble proteins as well as membrane-bound proteins associate with membrane surfaces and bind specific lipid molecules in specific sites on…”
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Correction to “Highly Potent 2‑Oxoester Inhibitors of Cytosolic Phospholipase A2 (GIVA cPLA2)” by Psarra, Anastasia, Kokotou, Maroula G, Galiatsatou, Gerasimia, Mouchlis, Varnavas D, Dennis, Edward A, Kokotos, George

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Membrane Association Allosterically Regulates Phospholipase A 2 Enzymes and Their Specificity by Mouchlis, Varnavas D, Dennis, Edward A

“…Water-soluble proteins as well as membrane-bound proteins associate with membrane surfaces and bind specific lipid molecules in specific sites on the protein…”
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Membrane Allostery and Unique Hydrophobic Sites Promote Enzyme Substrate Specificity by Mouchlis, Varnavas D, Chen, Yuan, McCammon, J. Andrew, Dennis, Edward A

“…We demonstrate that lipidomics coupled with molecular dynamics reveal unique phospholipase A2 specificity toward membrane phospholipid substrates. We…”
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Substrate-Specific Inhibition Constants for Phospholipase A 2 Acting on Unique Phospholipid Substrates in Mixed Micelles and Membranes Using Lipidomics by Mouchlis, Varnavas D, Armando, Aaron, Dennis, Edward A

“…Assaying lipolytic enzymes is extremely challenging because they act on water-insoluble lipid substrates, which are normally components of micelles, vesicles,…”
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Lipoprotein-associated phospholipase A2: A paradigm for allosteric regulation by membranes by Mouchlis, Varnavas D, Hayashi, Daiki, Vasquez, Alexis M, Cao, Jian, McCammon, J Andrew, Dennis, Edward A

“…Lipoprotein-associated phospholipase A2 (Lp-PLA2) associates with low- and high-density lipoproteins in human plasma and specifically hydrolyzes circulating…”
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Insertion of the Ca²⁺-independent phospholipase A₂ into a phospholipid bilayer via coarse-grained and atomistic molecular dynamics simulations by Bucher, Denis, Hsu, Yuan-Hao, Mouchlis, Varnavas D, Dennis, Edward A, McCammon, J Andrew

“…Group VI Ca²⁺-independent phospholipase A₂ (iPLA₂) is a water-soluble enzyme that is active when associated with phospholipid membranes. Despite its clear…”
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Lipoprotein-associated phospholipase A 2 : A paradigm for allosteric regulation by membranes by Mouchlis, Varnavas D, Hayashi, Daiki, Vasquez, Alexis M, Cao, Jian, McCammon, J Andrew, Dennis, Edward A

“…Lipoprotein-associated phospholipase A (Lp-PLA ) associates with low- and high-density lipoproteins in human plasma and specifically hydrolyzes circulating…”
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