ArticleJournal of molecular modeling2010
Binding of arachidonic acid and two flavonoid inhibitors to human 12- and 15-lipoxygenases: a steered molecular dynamics study.
Article in Journal of molecular modeling, 2010. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
7 citing papers in PubMed, 19 citations in OpenAlex.
- Membrane regulation of 15LOX-1/PEBP1 complex prompts the generation of ferroptotic signals, oxygenated PEs.Free radical biology & medicine · 2023Article
- Iron Complexes of Flavonoids-Antioxidant Capacity and Beyond.International journal of molecular sciences · 2021Review
- Emerging targets in lipid-based therapy.Biochemical pharmacology · 2013Review
- In silico study of Aquaporin V: Effects and affinity of the central pore-occluding lipid.Biophysical chemistry · 2013Article
- Substrate binding to mammalian 15-lipoxygenase.Journal of computer-aided molecular design · 2011Article
- Exploring the free-energy landscapes of biological systems with steered molecular dynamics.Physical chemistry chemical physics : PCCP · 2011Article
- In silico experiments of single-chain antibody fragment against drugs of abuse.Biophysical chemistry · 2010Article
Corrections and comments
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Authors and funding
4 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The lipoxygenases (LOX) are a family of non-heme iron-containing dioxygenases which catalyze the stereospecific insertion of molecular oxygen into arachidonic acid, leading to hydroxy derivatives as end products. In this work, we docked arachidonic acid and two of its competitive inhibitors, flavonoids baicalein and quercetin, into the binding pockets of human 12- and 15-lipoxygenase. Steered molecular dynamics (SMD) simulations were employed to study the unbinding processes of the substrate and inhibitors from the two isoforms.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.