Results 31 to 40 of about 2,040,864 (360)

Targeting allosteric binding site in methylenetetrahydrofolate dehydrogenase 2 (MTHFD2) to identify natural product inhibitors via structure-based computational approach

open access: yesScientific Reports, 2023
Cancer has been viewed as one of the deadliest diseases worldwide. Among various types of cancer, breast cancer is the most common type of cancer in women.
Nisarg Rana   +5 more
doaj   +1 more source

Molecular basis for the allosteric activation mechanism of the heterodimeric imidazole glycerol phosphate synthase complex

open access: yesNature Communications, 2021
The allosteric regulation of the bienzyme complex imidazole glycerol phosphate synthase (HisFH) remains to be elucidated. Here, the authors provide structural insights into the dynamic allosteric mechanism by which ligand binding to the cyclase and ...
Jan Philip Wurm   +6 more
doaj   +1 more source

Supporting the identification of novel fragment-based positive allosteric modulators using a supervised molecular dynamics approach: A retrospective analysis considering the human A2A adenosine receptor as a key example [PDF]

open access: yes, 2017
Structure-driven fragment-based (SDFB) approaches have provided efficient methods for the identification of novel drug candidates. This strategy has been largely applied in discovering several pharmacological ligand classes, including enzyme inhibitors ...
Deganutti, Giuseppe, Moro, Stefano
core   +1 more source

Different Structures—Similar Effect: Do Substituted 5-(4-Methoxyphenyl)-1H-indoles and 5-(4-Methoxyphenyl)-1H-imidazoles Represent a Common Pharmacophore for Substrate Selective Inhibition of Linoleate Oxygenase Activity of ALOX15?

open access: yesMolecules, 2023
Mammalian 15-lipoxygenases (ALOX15) are lipid peroxidizing enzymes that exhibit variable functionality in different cancer and inflammation models. The pathophysiological role of linoleic acid- and arachidonic acid-derived ALOX15 metabolites rendered ...
Alexander Zhuravlev   +7 more
doaj   +1 more source

Allosteric Regulation Alters Carrier Domain Translocation in Pyruvate Carboxylase [PDF]

open access: yes, 2018
Pyruvate carboxylase (PC) catalyzes the ATP-dependent carboxylation of pyruvate to oxaloacetate. The reaction occurs in two separate catalytic domains, coupled by the long-range translocation of a biotinylated carrier domain (BCCP). Here, we use a series
Budelier, Melissa M.   +3 more
core   +3 more sources

Modeling amperometric biosensors based on allosteric enzymes

open access: yesComputational Science and Techniques, 2013
Computational modeling of a biosensor with allosteric enzyme layer was investigated in this study. The operation of the biosensor is modeled using non-stationary reaction-diffusion equations.
Liutauras Ričkus
doaj   +1 more source

Glutamine Hydrolysis by Imidazole Glycerol Phosphate Synthase Displays Temperature Dependent Allosteric Activation

open access: yesFrontiers in Molecular Biosciences, 2018
The enzyme imidazole glycerol phosphate synthase (IGPS) is a model for studies of long-range allosteric regulation in enzymes. Binding of the allosteric effector ligand N'-[5'-phosphoribulosyl)formimino]-5-aminoimidazole-4-carboxamide-ribonucleotide ...
George P. Lisi   +3 more
doaj   +1 more source

Dabrafenib, idelalisib and nintedanib act as significant allosteric modulator for dengue NS3 protease.

open access: yesPLoS ONE, 2021
Dengue virus (DENV) encodes a unique protease (NS3/NS2B) essential for its maturation and infectivity and, it has become a key target for anti-viral drug design to treat dengue and other flavivirus related infections.
R V Sriram Uday   +7 more
doaj   +1 more source

Mammalian Alkaline Phosphatases Are Allosteric Enzymes [PDF]

open access: yesJournal of Biological Chemistry, 1997
Mammalian alkaline phosphatases (APs) are zinc-containing metalloenzymes encoded by a multigene family and functional as dimeric molecules. Using human placental AP (PLAP) as a paradigm, we have investigated whether the monomers in a given PLAP dimer are subject to cooperativity during catalysis following an allosteric model or act via a half-of-sites ...
Thomas Manes   +5 more
openaire   +3 more sources

A high-throughput mass spectrometric assay for discovery of human lipoxygenase inhibitors and allosteric effectors. [PDF]

open access: yes, 2015
Lipoxygenases (LOXs) regulate inflammation through the production of a variety of molecules whose specific downstream effects are not entirely understood due to the complexity of the inflammation pathway.
Holman, Theodore R   +2 more
core   +1 more source

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