Results 81 to 90 of about 251,937 (291)

Sampling of conformational ensemble for virtual screening using molecular dynamics simulations and normal mode analysis [PDF]

Future Medicinal Chemistry, 2015, 7 (17), pp.2317-2331, 2016
Aim: Molecular dynamics simulations and normal mode analysis are well-established approaches to generate receptor conformational ensembles (RCEs) for ligand docking and virtual screening. Here, we report new fast molecular dynamics-based and normal mode analysis-based protocols combined with conformational pocket classifications to efficiently generate
arxiv   +1 more source

Exploring the Molecular Pathways Underlying the Anti‐Diabetic Effects of Millets

Food Safety and Health, EarlyView.
Millet consumption may modulate gluconeogenesis and glycolysis, enhance glucose transporter activity, increase leptin levels, inhibit the NF‐κB pathway, and mitigate oxidative and nitrosative stress. ABSTRACT Diabetes mellitus (DM) is a metabolic disorder characterized by hyperglycemic conditions resulting from inadequate insulin production or ...
Akash Kumar, Nidhi N. Shah, Mehul R. Chorawala, Rekha Kaushik, Bhupendra Prajapati, Rahul Mehra   +5 more
wiley   +1 more source

A QM/MM Study of Nitrite Binding Modes in a Three-Domain Heme-Cu Nitrite Reductase

Molecules, 2018
Copper-containing nitrite reductases (CuNiRs) play a key role in the global nitrogen cycle by reducing nitrite (NO2−) to nitric oxide, a reaction that involves one electron and two protons.
Kakali Sen, Michael A. Hough, Richard W. Strange, Chin W. Yong, Thomas W. Keal   +4 more
doaj   +1 more source

Structures of substrate- and product-bound forms of a multi-domain copper nitrite reductase shed light on the role of domain tethering in protein complexes

IUCrJ, 2020
Copper-containing nitrite reductases (CuNiRs) are found in all three kingdoms of life and play a major role in the denitrification branch of the global nitrogen cycle where nitrate is used in place of dioxygen as an electron acceptor in respiratory ...
Daisuke Sasaki, Tatiana F. Watanabe, Robert R. Eady, Richard C. Garratt, Svetlana V. Antonyuk, S. Samar Hasnain   +5 more
doaj   +1 more source

Comparative modelling and molecular docking of nitrate reductase from Bacillus weihenstephanensis (DS45)

Journal of Taibah University for Science, 2016
Nitrate reductase catalyses the oxidation of NAD(P)H and the reduction of nitrate to nitrite. NR serves as a central point for the integration of metabolic pathways by governing the flux of reduced nitrogen through several regulatory mechanisms in plants,
R. Seenivasagan, R. Kasimani, S. Rajakumar, R. Kalidoss, P.M. Ayyasamy   +4 more
doaj   +1 more source

Possible contribution of olefins and heteroatoms to the Unidentified Infrared Bands [PDF]

Astron.Astrophys.402:L13-L16,2003, 2003
The current assignments of the 11.3 feature are shown to be incompatible with observations. An unbiased survey of correlation charts suggests that the olefinic group R2=CH2 is a good alternative candidate. For the 12.7 feature, the best fits are provided by nitrites, R-O-N=O, and amines, R-N=H2.
arxiv   +1 more source

Protein NirP1 regulates nitrite reductase and nitrite excretion in cyanobacteria

Nature Communications
AbstractWhen the supply of inorganic carbon is limiting, photosynthetic cyanobacteria excrete nitrite, a toxic intermediate in the ammonia assimilation pathway from nitrate. It has been hypothesized that the excreted nitrite represents excess nitrogen that cannot be further assimilated due to the missing carbon, but the underlying molecular mechanisms ...
Alexander Kraus, Philipp Spät, Stefan Timm, Amy Wilson, Rhena Schumann, Martin Hagemann, Boris Maček, Wolfgang R. Hess   +7 more
openaire   +3 more sources

Role of Nitrate and Nitrite in the Induction of Nitrite Reductase in Leaves of Barley Seedlings [PDF]

Plant Physiology, 1989
The role of NO3- and NO2- in the induction of nitrite reductase (NiR) activity in detached leaves of 8-day-old barley (Hordeum vulgare L.) seedlings was investigated. Barley leaves contained 6 to 8 micromoles NO2-/gram fresh weight x hour of endogenous NiR activity when grown in N-free solutions.
Ray C. Huffaker, Muhammad Aslam
openaire   +3 more sources

Diversity of oxygen and N-oxide regulation of nitrite reductases in denitrifying bacteria.

FEMS Microbiology Letters, 1997
We examined alpha, beta and gamma Proteobacteria with Cu and heme-type dissimilatory nitrite reductases for patterns of nir regulation. Six of seven strains expressed nitrite reductase under aerobic growth conditions.
J. Ka, J. Urbance, Rick W. Ye, Tae Young Ahn, J. Tiedje   +4 more
semanticscholar   +1 more source

Functional and evolutionary characterization of potential auxiliary metabolic genes of the global RNA virome

iMetaOmics, EarlyView.
We generated the first comprehensive view of RNA viral auxiliary metabolic genes (AMGs), expanding the known functional type of AMGs by 75%. RNA viruses encode a remarkably high diversity of AMGs, spanning 25 distinct functional categories. Most of these genes are linked to environmental regulation and genetic information processing, with fewer ...
Yang Zhao, Zhihao Zhang, Meiling Feng, Rong Wen, Pengfei Liu   +4 more
wiley   +1 more source