Validation of in Silico Docking Analysis of Oligophenylpropanoids to Xanthine Oxidase by Correlation with in Vitro Bioassay and Its Application to Phlorotannins
Sheau Ling Ho,
Sheng-Fa Tsai,
Ching-Ting Lin,
Hyeung-Rak Kim,
Shoei-Sheng Lee
Issue:
Volume 6, Issue 1, March 2020
Pages:
1-6
Received:
12 February 2020
Accepted:
13 March 2020
Published:
31 March 2020
Abstract: The oligo-phenylpropanoids 1−7, isolated from Hyptis rhombodes, have been found to possess potent inhibitory activity against xanthine oxidase (EC 1.2.3.2, bovine milk). To rationalize such activity, computer assisted docking of these compounds and allopurinol, a positive control, on the xanthine oxidase was undertaken in this study. The docking scores, obtained by London (trimatch)−refinement (Forcefield Affinity ΔG) mode, showed good correlation with the IC50 values. That the compounds possessing 7′-Z configuration had much better inhibitory activity than those 7′-E isomers is well rationalized by this docking study. Virtual screening of eight phlorotannins (8−15) by this refinement mode found good docking scores. The bioassay result of three available ones (9, 12, 13) also indicated the consistency with the docking scores. While refined by Forcefield−London mode, certain inconsistency among the docking score and bioassay result was observed on either phenylpropanoid oligomers or three phlorotannins. Hence the London (trimatch)−refinement (Forcefield−Affinity ΔG) mode is recommended for virtual screening of the related phenolics. Three phlorotannins (11, 14, 15) were found to have better docking score than 6,6'-bieckol (12) and dieckol (13), both showing comparable inhibitory activity against xanthine oxidase to allopurinol, and thus they deserve further study. In addition, as these phlorotannins are rich in the Ecklonia genus, the common edible seaweeds such as E. cava and E. stolonifera are demonstrated to be beneficial to hyperuricemic patients.
Abstract: The oligo-phenylpropanoids 1−7, isolated from Hyptis rhombodes, have been found to possess potent inhibitory activity against xanthine oxidase (EC 1.2.3.2, bovine milk). To rationalize such activity, computer assisted docking of these compounds and allopurinol, a positive control, on the xanthine oxidase was undertaken in this study. The docking sc...
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Antimicrobial Resistance Patterns of Salmonella in Ethiopia Since 2009/2010: A Review
Issue:
Volume 6, Issue 1, March 2020
Pages:
7-14
Received:
20 August 2020
Accepted:
31 August 2020
Published:
16 September 2020
Abstract: Salmonella is one of the major and important foodborne pathogens of humans and animals causing salmonellosis, which have great medical and economical cost. Infections with Salmonella in food-producing animals present a serious public health concern, because food products of animal origin are considered to be a significant source of human infection. Most common sources of infection are eggs and related products, and meat from poultry and other food animal species. Milk and dairy products have also been associated with outbreaks of salmonellosis in people. Studies indicated the widespread occurrence of antimicrobial resistance in Ethiopia. The emergence and persistence of antimicrobial resistance is driven by varied factors including the indiscriminate use of antibiotics and variable drug efficacy and presents a major threat to the control of infectious diseases. In recent years, since the rate at which resistance occurs has outpaced the development of new drug replacements, it has become necessary to use the currently available agents, optimally and appropriately. Therefore, developing strategies in order to minimize the expansion of antimicrobial resistance is critically important. Performing drug susceptibility test for each salmonellosis case and Educating the community about Salmonella transmission is very important. Moreover, collaboration of different stakeholders like the public health, animal health, and animal agriculture communities plays a pivotal role.
Abstract: Salmonella is one of the major and important foodborne pathogens of humans and animals causing salmonellosis, which have great medical and economical cost. Infections with Salmonella in food-producing animals present a serious public health concern, because food products of animal origin are considered to be a significant source of human infection....
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