Nature Metabolism

Since the antioxidant properties of curcumin are well documented, it could provide protection through scavenging of free radicals.Curcumin has also been shown to prevent lipid peroxidation in isolated systems. Lipid peroxidation products are thought to be involved in the mechanisms of cataractogenesis and fatty acid hydroperoxides can cause opacication of lenses in organ cultures.Lenses from rats fed with a curcumin supplemented diet are resistant to opacication caused by HNE. This protective effect in lenses of curcumin fed rats has been suggested to be due to induction of glutathione S transferase which is involved in the detoxication of HNE. The possibility that the observed anticataractogenic properties of curcumin may be due to its inhibitory effect on lipoxygenase and cyclooxygenase pathways seems unlikely because the inhibition of these enzymes occurs at much higher concentrations of curcumin, which cannot to be achieved in the lenses at doses used in the present studies.Our results for the rst time demonstrate apoptosis of lens epithelial cells in naphthaleneinitiated cataracts.These authors have shown that apoptosis is preceded by cortical U.In our studies we have used lower naphthalene doses and relatively older rats to achieve slow progression of cataractogenesis similar to that observed in senile cataractogenesis.Further studies are needed to explore possible mechanistic relationship between apoptosis of epithelial cells and cataractogenesis.J. Am. Med. Assoc. View publication stats View publication stats Therefore, there is an urgent need to target COVID to find effective treatments for this emerging acute respiratory infection.Four compounds with diverse chemical scaffolds were retrieved as hits based on docking score and clustering analysis.In more severe cases, the infection could lead to pneumonia, severe acute respiratory syndrome, kidney failure, and even death. Unfortunately, to date, no specific therapeutic drug or vaccine had been approved for the treatment of COVID.Therefore, continuous efforts were urgent needed to find an effective treatment for this emerging acute respiratory infection.million compounds, was consulted as a screening library.Then, the mo lecu leswi th dock ing scorewi th in top were screened again using the default docking parameters, which would result in compounds.Then, we compared the molecular conformations from docking with the one from crystal structure.After careful manual screening and clustering analysis, four compounds were hit.Moreover, to better investigate the binding affinities and binding modes of hit molecules, MD simulation and MMGBSA free energy calculation were employed.Each system was embedded in a truncated cathedral periodic box of TIPP water molecules, which extends to at least away from any solute atom.To neutralize the systems, appropriate numbers of sodium and chloride ions were added.Then, the water molecules and ions were primarily optimized with cycles of the steepest descent followed by cycles of conjugated gradient; the same minimization was next carried out by fixing backbone atoms; ultimately, energy minimization of cycles of the steepest descent and conjugated gradient were performed without any restriction to optimize the entire system.After energy minimization, each system was gradually heated in the NVT ensemble from to K within ps.fs was performed under a constant temperature of K.The entire coordinate file was saved each ps for the following binding free energy calculation.

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