Sampling of conformational ensemble for virtual screening using molecular dynamics simulations and normal mode analysis [PDF]
, 2015 Aim: Molecular dynamics simulations and normal mode analysis are well-established approaches to generate receptor conformational ensembles (RCEs) for ligand docking and virtual screening.
David Perahia +10 more
core +4 more sources
Metagenomic Evidence for a Methylocystis Species Capable of Bioremediation of Diverse Heavy Metals
Frontiers in Microbiology, 2019 Heavy metal pollution has become an increasingly serious problem worldwide. Co-contamination with toxic mercury (Hg) and arsenic (As) presents a particularly difficult bioremediation trouble.
Ling-Dong Shi +9 more
doaj +1 more source
Mechanistic Insight into the Enzymatic Reduction of Truncated Hemoglobin N of Mycobacterium tuberculosis: role of the CD loop and pre-A Motif in electron cycling [PDF]
, 2014 Background: The HbN of Mycobacterium tuberculosis carries a potent nitric-oxide dioxygenase activity despite lacking a reductase domain. Results: The NADH-ferredoxin reductase system acts as an efficient partner for the reduction of HbN.
Bidon Chanal, Axel +12 more
core +2 more sources
Frontiers in Plant Science, 2021 To cope with P, S, or Fe deficiency, dicot plants, like Arabidopsis, develop several responses (mainly in their roots) aimed to facilitate the mobilization and uptake of the deficient nutrient.
María José García +6 more
doaj +1 more source
The nitric oxide response in plant-associated endosymbiotic bacteria [PDF]
, 2011 Nitric oxide (NO) is a gaseous signalling molecule which becomes very toxic due to its ability to react with multiple cellular targets in biological systems. Bacterial cells protect against NO through the expression of enzymes that detoxify this molecule
Andrew J. Gates +57 more
core +1 more source
Long-term results of the enzyme glutation system activity in experimental ovarian cancer
Journal of Education, Health and Sport, 2022 The article presents the experimental results of the investigation the glutathione system activity (glutathione peroxidase and glutathione reductase) in rats simulated ovarian ascites tumor.
L. Yershova +4 more
doaj +1 more source
Glyphosate inhibition of ferric reductase activity in iron deficient sunflower roots [PDF]
, 2007 Iron (Fe) deficiency is increasingly being observed in cropping systems with frequent glyphosate applications. A likely reason for this is that glyphosate interferes with root uptake of Fe by inhibiting ferric reductase in roots required for Fe ...
Cakmak, Ismail +10 more
core +3 more sources
The Fe Protein: An Unsung Hero of Nitrogenase
Inorganics, 2018 Although the nitrogen-fixing enzyme nitrogenase critically requires both a reductase component (Fe protein) and a catalytic component, considerably more work has focused on the latter species.
Andrew J. Jasniewski +3 more
doaj +1 more source
Modulating Enzyme Function via Dynamic Allostery within Biliverdin Reductase B
Frontiers in Molecular Biosciences, 2021 The biliverdin reductase B (BLVRB) class of enzymes catalyze the NADPH-dependent reduction of multiple flavin substrates and are emerging as critical players in cellular redox regulation.
Jasmina S. Redzic +5 more
doaj +1 more source
Characterization of the Arsenate Respiratory Reductase from Shewanella sp. Strain ANA-3 [PDF]
, 2008 Microbial arsenate respiration contributes to the mobilization of arsenic from the solid to the soluble phase in various locales worldwide. To begin to predict the extent to which As(V) respiration impacts arsenic geochemical cycling, we characterized ...
Keeffe, Jennifer R. +2 more
core +2 more sources