in silico studies of blood ethanol time concentration

In vitro and in silico studies of terpenes, terpenoids and related compounds with larvicidal and pupaecidal activity against Culex quinquefasciatus Say (Diptera: Culicidae)

In vitro and in silico studies of terpenes, terpenoids and related compounds with larvicidal and pupaecidal activity against Culex quinquefasciatus Say (Diptera: Culicidae)

... α‑Terpinene, (44) γ‑Terpinene, (45) 4‑Terpineol, (46) α‑Terpineol, 47) β‑Terpineol, 48) γ‑Terpineol, (49) Terpinolene, (50) Thymol Trang 4Insect cultures and rearing conditionsLarvae of Cx quinquefasciatus ... estimate the strength of the protein–ligand interaction, to deter-mine biding poses and free energy values [19] Docking describe ligand binding to a receptor through noncova-lent interactions which ... fourth instar larvae as well as pupae, were used for testing Five groups of 20 larvae were isolated in beakers of 250  mL, exposed to different concentrations of the tested compounds and maintained

Ngày tải lên: 29/05/2020, 13:36

21 47 0
DSpace at VNU: Suggestion of suitable animal models for in vivo studies of protein tyrosine phosphatase 1b (PTP1B) inhibitors using computational approaches

DSpace at VNU: Suggestion of suitable animal models for in vivo studies of protein tyrosine phosphatase 1b (PTP1B) inhibitors using computational approaches

... the insulin re-ceptor substrate 1 (IRS-1) (Galic et al 2005) Increasing expressed PTP1B and its activity result in over dephos-phorylation of IR and kinases leading to interruption of insulin ... This finding has been supporting variety of PTP1B inhibitor studies (Zhang and Lee 2003) However, none of potential inhibitors could pass clin-ical trials which lead to the need of thorough investigat-ing ... role in recog-nition of Tyr tandem in the substrate and contains Tyr46 which defines the depth of the binding site and con-tributes to absolute substrate specificity of PTP1B to phosphotyrosine-containing

Ngày tải lên: 16/12/2017, 00:14

11 156 0
Dietary flaxseed mitigates impaired skeletal muscle regeneration: In vivo, in vitro and in silico studies

Dietary flaxseed mitigates impaired skeletal muscle regeneration: In vivo, in vitro and in silico studies

... apoptosis in differentiating myoblasts and prevented the TNF-induced inhibition of myogenesis, as demonstrated by the increased expression of myogenin, myosin heavy chain and caveolin-3, while promoting ... by increasing the myogenin and alpha myosin heavy chain Moreover, it restored the normal expression pattern of caveolin-3 thereby allowing protein retention at the sarcolemma ALA reduced TNF-induced ... red) co-staining of hamster skeletal muscle sections Merged images show that caveolin-3 expression increased in Dystr/FS vs Dystr/P The protein was mainly located in sarcolemma (yellow) in Healthy

Ngày tải lên: 15/01/2020, 20:53

14 28 0
In silico identification of T-type calcium channel blockers: A ligand-based pharmacophore mapping approach

In silico identification of T-type calcium channel blockers: A ligand-based pharmacophore mapping approach

... number of experimental observations and allow for saving both time and cost in the drug discovery process In addition, in silico methods can expand VS of compounds that do not exist physically in ... 4-dihydroquinazolines derivatives were selected for the present study [24–26] The dataset for common feature pharma-cophore modeling (HipHop) includes a training set of five compounds consisting of selective ... compensating for some of the most important limitations of the high-throughput methods [17] Review of literature survey showed extensive use of these methods in different clinical case studies

Ngày tải lên: 15/01/2020, 23:07

14 8 0
Comparative in silico analysis of EST-SSRs in angiosperm and gymnosperm tree genera

Comparative in silico analysis of EST-SSRs in angiosperm and gymnosperm tree genera

... More-over, in angiosperms, hexamers are less often ranked in the third position in the UTRs, supporting a lower repre-sentation of hexamers in UTRs in angiosperms Despite dimers being the motifs ... higher number of counts in most of the genera across all three genomic fractions, the proportion of dimers to trimers was clearly lower in the ORF, indicating an enrichment of trimers in the ORF ... frequent in the ORF in Pinus, while dimers were the most common in the 3′UTR fraction [43] In agreement with our study, increased representation of trimers in the ORF was shown before in Cryptomeria

Ngày tải lên: 27/05/2020, 01:06

10 39 0
Targeting matrix metalloproteinases with novel diazepine substituted cinnamic acid derivatives: Design, synthesis, in vitro and in silico studies

Targeting matrix metalloproteinases with novel diazepine substituted cinnamic acid derivatives: Design, synthesis, in vitro and in silico studies

... Marvin tools of Marvin Sketch Fig 4 a Overlay of the docked pose of compound 7 (red) with that of PDB Ligand 1HOV (white); b docked pose: H-bond interaction of compound 7 in the binding site of ... that of co-crystallized ligands, thus validating the docking protocol The selected com-pounds showed appreciable binding to the binding site of MMP-2 and MMP-9 proteins as determined by analyzing ... MMP-2 protein Fig 5 a Overlay of the docked pose of compound 8 (red) with that of PDB Ligand 1HOV (white); b docked pose: H-bond interaction of compound 8 in the binding site of MMP-2 protein

Ngày tải lên: 29/05/2020, 12:59

15 30 0
In silico analysis of the immune microenvironment in bladder cancer

In silico analysis of the immune microenvironment in bladder cancer

... through interaction with integrin ITGA5 and activation of PI3K/AKT signalling [38, 39], which results in the suppression of apoptosis and in-crease in the viability, invasion, and migration of colo-rectal ... significant advances in understanding cancer biology, including the functional role of the TME, the treatment of patients with BC still remains challenging As migration of immune cells into the tumour ... cell profiles in the TME of BC samples according to specific characteristics of each cell subset The know-ledge regarding the infiltration of immune cells into tu-mours could be used in personalized

Ngày tải lên: 17/06/2020, 11:41

11 17 0
Analyzing 16s rRNA sequences from Vietnamese pathogenic leptospira strains and in-silico prediction of potential antigenic epitopes on Lipl21, LipL32 outer membrane lipoproteins

Analyzing 16s rRNA sequences from Vietnamese pathogenic leptospira strains and in-silico prediction of potential antigenic epitopes on Lipl21, LipL32 outer membrane lipoproteins

... vaccines have been obtained, the vaccination is relatively unsuccessful and millions of dollars spent (Wang et al., 2007) In Vietnam, mainly using inactivated vaccine in preventing and controlling ... antigenic genes in Vietnamese pathogenic Leptospira serovars In an effort to find the promising antigenic genes for launching a kind of recombination leptospirosis vaccines in Vietnam, we selected ... of recombinant outer membrane protein (OMP) vaccines, lipopolysaccharide (LPS) vaccines and DNA vaccines against leptospirosis are also reviewed (Dellagostin et al., 2011) Moreover, a vaccine

Ngày tải lên: 17/08/2020, 20:30

12 40 0
In silico modeling of phosphorylation dependent and independent c-Myc degradation

In silico modeling of phosphorylation dependent and independent c-Myc degradation

... pulsed signal of GSK3β helps the system by introducing delay in the uiquitination process In presence of these variations in signals, the time profiles of four states of Myc proteins (x1–4) are ... remains unanswered The results would give us a better insight into the biology of ubiquitination and degradation of c-Myc Mathematical modelling has been valuable in assessing the viability of ... more dominant in the sense of robustness, we consider it as the on state of α and the model 2 as the off state of α On sampling the switching functionα with different dura-tions and on-off times

Ngày tải lên: 25/11/2020, 12:21

11 12 0
In silico analysis of missense mutations in exons 1–5 of the F9 gene that cause hemophilia B

In silico analysis of missense mutations in exons 1–5 of the F9 gene that cause hemophilia B

... at the calcium-binding site of EGF-1 The side chain of Gln96 is part of the coordination shell of the calcium ion (Fig.5i), so the mutation to Proline (Fig 5j) eliminates one of the li-gands ... FIX a Location of Gly105 in EGF-1 (from PDB ID 1PFX); the N-terminus of the domain is labeled b Location of Asp105 in EGF-1; the N-terminus of the domain is labeled c Neighboring residues for ... domains with that of the human EGF-2 domain in the most recent high resolution structure of a fragment of human F9 (PDB ID 6MV4 [33] All models were inspected in VMD [34] Results Selection of single

Ngày tải lên: 25/11/2020, 12:35

13 23 0
POLLUTION AS NEWS – CONTROLLING FOR CONTEMPORANEOUS CORRELATION OF RETURNS IN EVENT STUDIES OF TOXIC RELEASE INVENTORY REPORTING

POLLUTION AS NEWS – CONTROLLING FOR CONTEMPORANEOUS CORRELATION OF RETURNS IN EVENT STUDIES OF TOXIC RELEASE INVENTORY REPORTING

... 1CORRELATION OF RETURNS IN EVENT STUDIES OF TOXIC RELEASE INVENTORYDONALD P CRAM∗ MIT SLOAN SCHOOL OF MANAGEMENT DINAH KOEHLER HARVARD SCHOOL OF PUBLIC HEALTH JANUARY 20, 2000 PRELIMINARY AND INCOMPLETE ... contemporaneous correlation into account TRI is an innovative government intervention, based upon the shaming of heavy polluters instead of the traditional government palette of fines, penalties, direct ... event windows of interest; 2) a cross-sectional regression of determinants of CARs; and 3) a logistic regression of newspaper coverage of specific firms’ TRI-reported releases Hamilton finds that

Ngày tải lên: 18/10/2022, 14:02

19 1 0
in silico identification of genetic variants in glucocerebrosidase gba gene involved in gaucher s disease using multiple software tools

in silico identification of genetic variants in glucocerebrosidase gba gene involved in gaucher s disease using multiple software tools

... development of Gaucher disease We hypothesize that prediction of SNPs using multiple state of the art software tools will help in increasing the confidence in identification of SNPs involved in GD ... functional impact of 47 deleterious nsSNPs in protein of GBA was analyzed using PMUT server Of the 47 nsSNPs, 22 are classified as pathological, and the remaining were neutral (Table 3). PROTEIN VARIATION ... Manickam M, Ravanan P, Singh P and Talwar P (2014) In silico identification of genetic variants in glucocerebrosidase (GBA) gene involved in Gaucher’s disease using multiple software tools Front

Ngày tải lên: 02/11/2022, 11:41

11 5 0
In silico study of cytochrome p450 alleles and phenotypic distribution in vietnamese polulation

In silico study of cytochrome p450 alleles and phenotypic distribution in vietnamese polulation

... applications are of interest to industry and patient care, for instance, increasing drug development effíciency by detecting drug responders and drug non-responders in clinical trials and identifying those ... chromosome 7q21.1 and involved in the metabolism of medicines used to treat three of the most common infectious diseases: malaria (artemether, lumefantrine, meíloquine, primaquine, chloroquine), HIV/AIDS ... control of over-the-counter NSAIDs in Vietnam In addition, CYP2C9 is the main enzyme responsible for the elimination of various drugs wìth a narrovv therapeutic range, such as warfarin or phenytoin,

Ngày tải lên: 26/12/2022, 23:21

16 3 0
Toxicological studies of Orthosiphon stamineus (Misai Kucing) standardized ethanol extract in combination with gemcitabine in athymic nude mice model

Toxicological studies of Orthosiphon stamineus (Misai Kucing) standardized ethanol extract in combination with gemcitabine in athymic nude mice model

... within normal range in all Discussion The use of medicinal plants as complementary therapy has been increasing worldwide and gaining popularity in the developing countries Numerous studies have indicated ... assessment of the safety profile of herbal products and setting up a criterion for selecting a safe dose in Table 7 Blood proteins profile in different treatment groups. (g/L) Albumin (g/L) Globulin ... 10% of initial body weight[29] In the cur-rent study loss of body in all the treatment groups was less than 10% indicating relatively safe nature of O.s extract gemcitabine combination Clinical

Ngày tải lên: 15/01/2020, 13:32

10 33 0
Báo cáo khoa học: Bridging the gap between in silico and cell-based analysis of the nuclear factor-jB signaling pathway by in vitro studies of IKK2 ppt

Báo cáo khoa học: Bridging the gap between in silico and cell-based analysis of the nuclear factor-jB signaling pathway by in vitro studies of IKK2 ppt

... simulated in silico Combining this method of analysis (in vitro, cell-based and in silico analysis) will facilitate systematic understanding of the underlying properties of this signaling pathway ... (Fig 3E) Interestingly, the inclusion of IKK2 inhibition by SC-514 with our experimentally determined rate constants in the original model resulted in a delay in simulated peak and damping of subsequent ... = Intensity of nucleus Intensity of cytoplasm Intensity of nucleus Scheme This is a simplication of a cell as seen by analysis software, where the software measures the intensity of NF-jB in...

Ngày tải lên: 16/03/2014, 11:20

13 476 0
Báo cáo khoa học: In silico analysis of the adenylation domains of the freestanding enzymes belonging to the eucaryotic nonribosomal peptide synthetase-like family pot

Báo cáo khoa học: In silico analysis of the adenylation domains of the freestanding enzymes belonging to the eucaryotic nonribosomal peptide synthetase-like family pot

... contains a redox cofactor binding site for either pyrroloquinoline quinone (PQQ) or NADPH In particular, AASDH, containing a PQQ binding domain, is supposed to be involved in lysine degradation ... while main chain atoms were maintained fixed, ˚ side chains of every residue contained in a sphere of A centered on the phosphate atom of the AMP were subjected to a gradually decreasing tethering ... the A domains of the aminoacyl adenylate-forming enzymes of the freestanding enzymes and those of the traditional NRPS systems In particular, how many sequences of freestanding A domains are known...

Ngày tải lên: 23/03/2014, 13:20

13 424 0
in silico simulation of biological processes

in silico simulation of biological processes

... debated at this meeting will include: What does in silico refer to and include? What are the roles of modelling in biology? What is the role of mathematics in modelling? CHAIR’S INTRODUCTION ... 0-470-84480-9 Integrative biological modelling in silico Andrew D McCulloch and Gary Huber Department of Bioengineering, The Whitaker Institute of Biomedical Engineering, University of California ... In that Empire, the art of cartography attained such perfection that the map of a single province occupied the entirety of a city, and the map of the Empire, the entirety of a province In time...

Ngày tải lên: 11/04/2014, 09:47

261 358 0
báo cáo hóa học: " Relationship between the EQ-5D index and measures of clinical outcomes in selected studies of cardiovascular interventions" pot

báo cáo hóa học: " Relationship between the EQ-5D index and measures of clinical outcomes in selected studies of cardiovascular interventions" pot

... those included in cohort studies This could lead to less variability in the variables of interest in these patients, and in particular, the ceiling effect may constrain the variation in EQ-5D index ... considered clinically significant [26] In this study we assessed the change in EQ-5D index for a ten year increase in age, males versus females, a one minute increase in ETT, a one class increase in CCS, ... within the studies at different time intervals (Table 1) Age and gender were recorded for all studies at study entry The studies included: Cost-effectiveness of functional cardiac testing in the...

Ngày tải lên: 18/06/2014, 19:20

14 611 0
báo cáo hóa học: " Anandamide inhibits Theiler’s virus induced VCAM-1 in brain endothelial cells and reduces leukocyte transmigration in a model of blood brain barrier by activation of CB1 receptors" pdf

báo cáo hóa học: " Anandamide inhibits Theiler’s virus induced VCAM-1 in brain endothelial cells and reduces leukocyte transmigration in a model of blood brain barrier by activation of CB1 receptors" pdf

... immunohistochemistry, in the brains of sham animals in both type of mice, Cnr1+/+ or Cnr1-/- The intracranial injection of TMEV induced the expression of VCAM-1 in the ipsilateral cerebral cortex surrounding blood ... side of injection, immunostained for VCAM-1 Arrows indicate VCAM-1 immunostaining Scale bar is 50 μm (B, D) Quantification of intensity of VCAM-1 staining as described in Material and methods in ... [13,18,49,50] the role of endocannabinoids in MS remains uncertain While most of studies on ECS and MS focused on established disease, understanding the role of endocannabinoids during the induction phase...

Ngày tải lên: 19/06/2014, 22:20

13 466 0
báo cáo khoa học: " In silico identification of conserved microRNAs in large number of diverse plant species" ppsx

báo cáo khoa học: " In silico identification of conserved microRNAs in large number of diverse plant species" ppsx

... hyponastic leaves (HYL1), a double-stranded RNA-binding domain (dsRBD)-containing protein, and SERRATE, a C2H2 zinc finger protein, assists DCL1 in releasing the miRNA duplex [5-7] Then HEN1, a methyl ... help define the lifespan of these transient miRNA genes [34] Bioinformatic inspection of the conservation of these miRNAs in Brassica may not be completely informative at this time because of the ... spp These findings will be useful for tracing the evolution of small RNAs by examining their expression in common ancestors of the Arabidopsis-Brassica lineage Methods Blast search against NCBI...

Ngày tải lên: 12/08/2014, 05:20

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