Computational drug discovery of potential phosphodiesterase inhibitors using in silico studies
Journal Title: Asian Pacific Journal of Tropical Disease - Year 2012, Vol 2, Issue 0
Abstract
Objective: To evaluate the phosphodiesterase inhibitory activity of flavonoids using in silico docking studies. Methods: In this perspective, flavonoids like Aromadedrin, Biochanin, Eriodictyol, Isorhamnetin, and Okanin were selected. Caffeine, a known phosphodiesterase inhibitor was used as the standard. In silico docking study, was carried out to identify the inhibiting potential of the selected flavonoids against phosphodiesterase enzyme using AutoDock 4.2. The basic principle employed in the AutoDock 4.2 was Lamarckian genetic algorithm. Results: Docking results showed that all the selected flavonoids showed binding energy ranging between -7.57 kcal/mol to -5.79 kcal/mol when compared with that of the standard (-4.77 kcal/ mol). Intermolecular energy (-9.06 kcal/mol to -8.17 kcal/mol) and inhibition constant (2.82 毺 mol to 57.41 毺 mol) of the ligands also coincide with the binding energy. Conclusions: Eriodictyol contributed better phosphodiesterase inhibitory activity because of its structural parameters. Further investigations on the above compounds and in vivo studies are necessary to develop potential chemical entities for the prevention and treatment of inflammatory disorders.
Epidemiological patterns of Leptospira spp. among slaughterhouse workers in Zanjan- Iran
Objective: To determine epidemiological patterns of Leptospira spp. among slaughterhouse workers in Zanjan- Iran during 201 1. Methods: 98 human blood samples collected from slaughterhouse workers in Zanjan province, in...
Toxicological evaluation of ethanolic extract of Anacyclus pyrethrum in albino wistar rats
Objective: To evaluate the sub chronic toxicity of ethanolic extract of Anacyclus pyrethrum (A. pyrethrum) in albino wistar rats. Methods: In sub chronic toxicity study ethanolic extract of A. pyrethrum prepared in 2%v/v...
Propolis-Sahara honeys preparation exhibits antibacterial and anti-biofilm activity against bacterial biofims formed on urinary catheters
Objective: To evaluate the antibacterial effect of Sahara honeys (SHs) against bacterial biofilms formed on urinary catheters in combination with propolis-Sahara honeys (P-SHs). Methods: Three clinical isolates were subj...
Chemical composition and antibacterial activity of Pinus halepensis Miller growing in West Northern of Algeria
Objective: To find new bioactive natural products, the chemical composition and to sudy the antibacterial activity of essential oil components extracted from the aerial parts of the Algerian aromatic plant Pinus halepens...
Antibacterial activity of garlic (Allium sativum) againts Gram-positive bacteria isolated from tiger shrimp (Penaeus monodon)
Objective: To report the effectiveness of various concentrations of garlic juice on inhibition zone of Gram-positive bacteria isolated from tiger shrimps. Methods: Four concentrations of garlic juice used in this researc...