Docking, steered molecular dynamics, and QSAR studies as strategies for studying isoflavonoids as 5-, 12-, and 15-lipoxygenase inhibitors
F Cabezas, C Mascayano - Journal of Biomolecular Structure and …, 2019 - Taylor & Francis
Lipoxygenases (LOX) are enzymes that catalyze polyunsaturated fatty acid peroxidation and
have a non-heme iron atom located in their active site. They are implicated in the …
have a non-heme iron atom located in their active site. They are implicated in the …
Lipoxygenase directed anti-inflammatory and anti-cancerous secondary metabolites: ADMET-based screening, molecular docking and dynamics simulation
S Singh, M Awasthi, VP Pandey… - Journal of Biomolecular …, 2017 - Taylor & Francis
Lipoxygenases (LOXs), key enzymes involved in the biosynthesis of leukotrienes, are well
known to participate in the inflammatory and immune responses. With the recent reports of …
known to participate in the inflammatory and immune responses. With the recent reports of …
[HTML][HTML] 'Mechanistic insights into 5-lipoxygenase inhibition by active principles derived from essential oils of Curcuma species: Molecular docking, ADMET analysis …
Inflammation is caused by a cascade of events, one of which is the metabolism of
arachidonic acid, that begins with oxidation by the enzyme 5-lipoxygenase. 5-Lipoxygenase …
arachidonic acid, that begins with oxidation by the enzyme 5-lipoxygenase. 5-Lipoxygenase …
Binding of arachidonic acid and two flavonoid inhibitors to human 12-and 15-lipoxygenases: a steered molecular dynamics study
C Mascayano, G Núñez, W Acevedo… - Journal of molecular …, 2010 - Springer
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 …
catalyze the stereospecific insertion of molecular oxygen into arachidonic acid, leading to …
Inhibitory activity of IAA and IBA against lipoxygenase: in silico and in vitro validation
Inhibition of leukotriene biosynthesis is considered to be one of the potential treatment
strategies for controlling inflammation, respiratory diseases and many neurodegenerative …
strategies for controlling inflammation, respiratory diseases and many neurodegenerative …
Virtual screening, ADME study, and molecular dynamic simulation of chalcone and flavone derivatives as 5-Lipoxygenase (5-LO) inhibitor
SN Mohd Amin, MH Md Idris, M Selvaraj… - Molecular …, 2020 - Taylor & Francis
Lipoxygenase (5-LO) is one of the key enzymes involved in the production of pro-
inflammatory mediators, such as leukotriene B4 and cysteinyl leukotrienes. Inhibition of 5-LO …
inflammatory mediators, such as leukotriene B4 and cysteinyl leukotrienes. Inhibition of 5-LO …
[HTML][HTML] QSAR modeling of benzoquinone derivatives as 5-lipoxygenase inhibitors
TKS Ahamed, VK Rajan, K Muraleedharan - Food Science and Human …, 2019 - Elsevier
The inhibitors of 5-LOX control the overproduction of pro-inflammatory mediators known as
leukotrienes (LTs) and thus have therapeutic relevance in the treatment of various diseases …
leukotrienes (LTs) and thus have therapeutic relevance in the treatment of various diseases …
[PDF][PDF] Docking studies and molecular dynamics simulation of compounds contained in Kaempferia galanga L. to lipoxygenase (lox) for anti-inflammatory drugs
Inflammation is a self-protective response to start the healing process. An anti-inflammatory
target worth developing are lipoxygenase inhibitors, which have been studied for several …
target worth developing are lipoxygenase inhibitors, which have been studied for several …
3D-QSARs and molecular dynamics simulation studies on induced fit binding of flavones to human aldose reductase
Y Mu, M Yang, H Li, F Wu, S Luo - Journal of Biomolecular …, 2020 - Taylor & Francis
Flavones are a group of about 4000 naturally occurring compounds that are ubiquitous in
many plants and important constituents of the human diet. They have been recognized to …
many plants and important constituents of the human diet. They have been recognized to …
In silico studies reveal the mechanisms behind the antioxidant and anti-inflammatory activities of hydroxytyrosol
Hydroxytyrosol is one of the most important phytochemical constituents of olive oil and
possesses a very interesting pharmacological profile ranging from antioxidant, antimicrobial …
possesses a very interesting pharmacological profile ranging from antioxidant, antimicrobial …