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Docking Study of Quercetin Derivatives on Inducible Nitric Oxide Synthase and Prediction of their Absorption and Distribution Properties  [PDF]
R.E. Kartasasmita,R. Herowati,T. Gusdinar
Journal of Applied Sciences , 2010,
Abstract: Some flavonoids, including quercetin, were reported to show inhibitory activities against inducible Nitric Oxide Synthase (iNOS), an isoenzyme responsible for nitric oxide formation. The objectives of this research are to obtain binding and inhibitory parameters of some quercetin derivatives on iNOS by means of docking method and prediction of their oral absorption and distribution properties. Seven selected flavonoids and ten quercetin derivatives were used as ligands for the study. The iNOS structure was obtained from Brookhaven protein databank (PDB ID: 1M9T) and docking study was performed using ArgusLab free software. Binding energy (ΔGbind) and hydrogen bond were used to analyze interactions between ligands and active site of iNOS. The PreADMET on line program was used to predict the oral absorption and distribution properties including permeability for Caco-2 cell, HIA (human intestinal absorption) and plasma protein binding. The results showed that hydrogen bonds formed between flavonoids and iNOS always involved the amide groups of glycine (A365) and trypsine (A366) residues in iNOS active site and 4-carbonyl group of flavonoids. In the docked form, the planar region of A-ring of flavonoids oriented to the heme plane of iNOS. Thus the 4-carbonyl group and planar region of A-ring of flavonoids are essential for the binding with iNOS. Linear regression of binding energy versus negative logarithm of IC50 of flavonoids gave an equation of -log IC50 = -0.399 ΔGbind- 5.608 (R2 = 0.686; p<0.01) and predicted IC50 of Quercetin was 76.79 μM. The human intestinal absorption (HIA) and Caco-2 cell permeability values of quercetin were 63.5% and 3.4 nm sec-1 while its plasma protein binding was 93.2%, respectively. Quercetin-3-O-acetate, 6,8-dichloroquercetin-3-O-acetate and 6-bromoquercetin-3-O-acetate showed lower predicted IC50 and better absorption and distribution properties than quercetin.
The Frequency of Vibrio Parahaemolyticus in Southeastern Coast of Caspian Sea
A Halako,H Forohesh,M khormali,N mozfari
Medical Laboratory Journal , 2007, DOI: http://www.goums.ac.ir/mljgoums/index.php?&slct_pg_id=10&sid=1&slc_lang=en
Abstract: Background and Objectives:pathogenic species of vibrio. It is a salt-requiring organism. It caseswatery diarrhea often with abdominal cramping, nausea, vomiting andfever. This study was performed to assess the seawater samples ofCaspian coastal regions.Vibrio parahaemolyticus is one ofMaterials and methods:APW and TCBS agar media and then biochemistry tests were used todistinguish vibrio parahemolytic.Methods used to isolate this organism wereResults:parahaemolyticus(Gaz and the rest from khomishan region.)Of 73 seawater samples, we could isolate 32 Vibrio16 of them from Bandar Turkmen, 10 of Bandarfound abundantly in Caspian coastal regions.Conclusion: This study indicated that Vibrio parahaemolyticus can beparahaemolyticus, distribution,Key words: Southeastern Caspian coastal regions, Vibrio
A Single Amino Acid Change Converts the Sugar Sensor SGLT3 into a Sugar Transporter  [PDF]
Laura Bianchi,Ana Díez-Sampedro
PLOS ONE , 2012, DOI: 10.1371/journal.pone.0010241
Abstract: Sodium-glucose cotransporter proteins (SGLT) belong to the SLC5A family, characterized by the cotransport of Na+ with solute. SGLT1 is responsible for intestinal glucose absorption. Until recently the only role described for SGLT proteins was to transport sugar with Na+. However, human SGLT3 (hSGLT3) does not transport sugar but causes depolarization of the plasma membrane when expressed in Xenopus oocytes. For this reason SGLT3 was suggested to be a sugar sensor rather than a transporter. Despite 70% amino acid identity between hSGLT3 and hSGLT1, their sugar transport, apparent sugar affinities, and sugar specificity differ greatly. Residue 457 is important for the function of SGLT1 and mutation at this position in hSGLT1 causes glucose-galactose malabsorption. Moreover, the crystal structure of vibrio SGLT reveals that the residue corresponding to 457 interacts directly with the sugar molecule. We thus wondered if this residue could account for some of the functional differences between SGLT1 and SGLT3.
α-Cyclodextrin dimer complexes of dopamine and levodopa derivatives to assess drug delivery to the central nervous system: ADME and molecular docking studies
Shityakov S, Broscheit J, F rster C
International Journal of Nanomedicine , 2012, DOI: http://dx.doi.org/10.2147/IJN.S31373
Abstract: lodextrin dimer complexes of dopamine and levodopa derivatives to assess drug delivery to the central nervous system: ADME and molecular docking studies Original Research (2505) Total Article Views Authors: Shityakov S, Broscheit J, F rster C Published Date June 2012 Volume 2012:7 Pages 3211 - 3219 DOI: http://dx.doi.org/10.2147/IJN.S31373 Received: 01 March 2012 Accepted: 21 March 2012 Published: 27 June 2012 Sergey Shityakov, Jens Broscheit, Carola F rster Department of Anesthesiology and Critical Care, University of Würzburg, Würzburg, Germany Abstract: This paper attempts to predict and emphasize molecular interactions of dopamine, levodopa, and their derivatives (Dopimid compounds) containing 2-phenyl-imidazopyridine moiety with the α-cyclodextrin dimer in order to assess and improve drug delivery to the central nervous system. The molecular docking method is used to determine the energetic profiles, hydrogen bond formation, and hydrophobic effect of 14 host–guest complexes. The results show that the “chemical branching” represented by additional ethyl-acetate residue is energetically unfavorable and promotes a conformational shift due to the high root mean square deviation levels. This phenomenon is characterized by a low number of H-bonds and a significant decrease of the host–guest hydrophobic potential surface. Finally, the overall docking procedure presents a powerful rationale for screening and analyzing various sets of promising drug-like chemical compounds in the fields of supramolecular chemistry, molecular sensing, synthetic receptors, and nanobiotechnology.
Primary Evaluation of the Detection Effect for Vibrio parahaemolyticus Chromogenic Medium
副溶血性弧菌显色培养基检测效果初步评价

ZHANG Shu-Hong,WU Qing-Ping,ZHANG Ju-Mei,YANG Xiao-Juan,
张淑红
,吴清平,张菊梅,杨小鹃

微生物学通报 , 2008,
Abstract: Vibrio parahaemolyticus is an important food-borne pathogenic bacterium that widely exists in all kinds of seafood. As the traditional media and method were very costly-time and money, a new chromogenic medium (HKC vibrio) was designed in this assay. Through detecting the artificially contaminated samples and natural samples, the sensitivity, specificity and detection effect of HKC vibrio were studied and compared with CHROMagar vibrio and TCBS. The results showed that HKC vibrio had the same sensitivity as CHROMagar vibrio and TCBS, also had highly specificity. In conclusion, HKC vibrio was an invaluable medium which may improve the detection efficiency of Vibrio parahaemolyticus dramatictly.
Primary Evaluation of the Detection Effect for Vibrio parahaemolyticus Chromogenic Medium
副溶血性弧菌显色培养基检测效果初步评价

ZHANG Shu-Hong,WU Qing-Ping,ZHANG Ju-Mei,YANG Xiao-Juan,
张淑红
,吴清平,张菊梅,杨小鹃

微生物学报 , 2008,
Abstract: Vibrio parahaemolyticus is an important food-borne pathogenic bacterium that widely exists in all kinds of seafood. As the traditional media and method were very costly-time and money, a new chromogenic medium (HKC vibrio) was designed in this assay. Through detecting the artificially contaminated samples and natural samples, the sensitivity, specificity and detection effect of HKC vibrio were studied and compared with CHROMagar vibrio and TCBS. The results showed that HKC vibrio had the same sensitivity as CHROMagar vibrio and TCBS, also had highly specificity. In conclusion, HKC vibrio was an invaluable medium which may improve the detection efficiency of Vibrio parahaemolyticus dramatictly.
Gastroenteritis humanas associadas a Vibrio parahaemolyticus no Recife, Brasil
Magalh?es, Vera;Lima, Roberto A.;Tateno, Seiki;Magalh?es, Marcelo;
Revista do Instituto de Medicina Tropical de S?o Paulo , 1991, DOI: 10.1590/S0036-46651991000100012
Abstract: a study was carried out on the occurrence of vibrio parahaemolyticus in 1.100 diarrheal feces, routinely sent to a private clinical laboratory for microbiologic diagnosis, in recife. v. parahaemolyticus was isolated from 14 (1.3%) fecal samples. however, if we considered only the specimens from adult patients, the isolation rate of v. parahaemolyticus rose to 7.1%. in most cases (92.86%), v. parahaemolyticus was the only enteropathogen recognized. among the isolates, seven k antigen serovars were demonstrated, and three were untypable. only two human isolates, both ureolytic, did not produce the thermostable direct hemolysin. we concluded that v. parahaemolyticus is an important cause of sea food linked diarrhea among adults in recife.
Molecular analysis of the emergence of pandemic Vibrio parahaemolyticus
E Fidelma Boyd, Ana Cohen, Lynn M Naughton, David W Ussery, Tim T Binnewies, O Colin Stine, Michelle A Parent
BMC Microbiology , 2008, DOI: 10.1186/1471-2180-8-110
Abstract: We performed a four-way BLAST analysis on the genome sequence of V. parahaemolyticus RIMD2210633, an O3:K6 isolate from Japan recovered in 1996, versus the genomes of four published Vibrio species and constructed genome BLAST atlases. We identified 24 regions, gaps in the genome atlas, of greater than 10 kb that were unique to RIMD2210633. These 24 regions included an integron, f237 phage, 2 type III secretion systems (T3SS), a type VI secretion system (T6SS) and 7 Vibrio parahaemolyticus genomic islands (VPaI-1 to VPaI-7). Comparative genomic analysis of our fifth genome, V. parahaemolyticus AQ3810, an O3:K6 isolate recovered in 1983, identified four regions unique to each V. parahaemolyticus strain. Interestingly, AQ3810 did not encode 8 of the 24 regions unique to RMID, including a T6SS, which suggests an additional virulence mechanism in RIMD2210633. The distribution of only the VPaI regions was highly variable among a collection of 42 isolates and phylogenetic analysis of these isolates show that these regions are confined to a pathogenic clade.Our data show that there is considerable genomic flux in this species and that the new highly virulent clone arose from an O3:K6 isolate that acquired at least seven novel regions, which included both a T3SS and a T6SS.Vibrio parahaemolyticus is a Gram-negative halophilic, aerobic bacterium that is distributed in marine and estuarine environments worldwide [1]. In the 1950s, Fujino demonstrated that V. parahaemolyticus was the etiological agent responsible for a gastroenteritis outbreak in Osaka, Japan. Presently, in Taiwan, Japan and other South East Asian countries, V. parahaemolyticus cause over half of all food poisoning outbreaks of bacterial origin [2,3]. Baross and Liston in the late 1960s identified V. parahaemolyticus in seawater, sediments and shellfish in the United States [4,5]. Today, V. parahaemolyticus is the leading cause of seafood-associated bacterial gastroenteritis in the United States. V. parahaemoly
Development of a loop-mediated Isothermal amplification assay for sensitive and rapid detection of Vibrio parahaemolyticus
Wataru Yamazaki, Masanori Ishibashi, Ryuji Kawahara, Kiyoshi Inoue
BMC Microbiology , 2008, DOI: 10.1186/1471-2180-8-163
Abstract: The assay provided markedly more sensitive and rapid detection of V. parahaemolyticus strains than conventional biochemical and PCR assays. The assay correctly identified 143 V. parahaemolyticus strains, but did not detect 33 non-parahaemolyticus Vibrio and 56 non-Vibrio strains. Sensitivity of the LAMP assay for direct detection of V. parahaemolyticus in pure cultures and in spiked shrimp samples was 5.3 × 102 CFU per ml/g (2.0 CFU per reaction). The sensitivity of the LAMP assay was 10-fold more sensitive than that of the conventional PCR assay. The LAMP assay was markedly faster, requiring for amplification 13–22 min in a single colony on TCBS agar from each of 143 V. parahaemolyticus strains and less than 35 min in spiked shrimp samples. The LAMP assay for detection of V. parahaemolyticus required less than 40 min in a single colony on thiosulfate citrate bile salt sucrose (TCBS) agar and 60 min in spiked shrimp samples from the beginning of DNA extraction to final determination.The LAMP assay is a sensitive, rapid and simple tool for the detection of V. parahaemolyticus and will facilitate the surveillance for control of contamination of V. parahaemolyticus in seafood.Vibrio parahaemolyticus is a marine seafoodborne pathogen causing gastrointestinal disorders in humans [1,2]. Thermostable direct hemolysin (TDH) and TDH-related hemolysin (TRH) are known as major virulence determinants of V.parahaemolyticus [3]. This bacterium is widely present in estuarine, marine, and coastal environments throughout the world [1,2]. Therefore, ingestion of raw or undercooked seafood contaminated with V.parahaemolyticus is risk factors in humans [1,2].Most V.parahaemolyticus isolates from the environment do not produce TDH or TRH. Virulent strains of V. parahaemolyticus are usually found together with larger populations of avirulent strains in the environment [1,2,4,5]. The similarity in growth kinetics of the virulent and avirulent strains is a major obstacle for selective dete
HEAT TREATMENT FOR THE PRECOOCKED SHRIMPS PRODUCTION: VIBRIO PARAHAEMOLYTICUS RISK ANALYSIS
L. Serracca,F. Gallo,M. Prearo,M Orlandi
Italian Journal of Food Safety , 2010, DOI: 10.4081/ijfs.2010.7.83
Abstract: Vibrio parahaemolyticus is a common microflora of marine and estuarine waters known to be associated with gastroenteritis due to consumption of raw seafood, cooked food contaminated through direct contact (cross contamination) or improperly cooked. The aim of this study was to evaluate the effectiveness of two different heat processes in reducing microbial load of V. parahaemolyticus. Data show a 4 Log10/g reduction of bacterial load after 3,30 and 15 minutes at 95 °C.
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