Article
Molecular dynamics simulations to decipher the hotspots at the allosteric site of human 5-lipoxygenase.
Journal of molecular graphics & modelling - 1 May 2025
Parvez Sahanawaz, Bhavani Kallepalli Sarala, Chanchayya Gupta Chandaluri, Werz Oliver, Aparoy Polamarasetty
Abstract excerpt
Human 5-lipoxygenase (LOX) is a non-heme, Fe-containing LOX which catalyses the conversion of arachidonic acid (AA) to leukotriene A4 (LTA4). LTA4 is subsequently converted to cysteinyl-LTs and LTB4 that cause bronchoconstriction and act as chemotactic and chemokinetic agent on human leukocytes, respectively. Leukotrienes play significant roles in inflammation in asthma, cardiovascular diseases, allergic...
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