Search results for "Role"
showing 10 items of 1994 documents
Docking of indolo- and pyrrolo-pyrimidines to DNA. New DNA-interactive polycycles from amino-indoles/pyrroles and BMMA
2004
New indolo- and pyrrolo-pyrimidines of type 1-4 were studied for their ability to form stable complexes with DNA fragments. The calculated free energies of binding were found in the range -8.39 ÷ -16.72 Kcal/mol. The docking studies revealed a common binding mode with the chromophore intercalated between GC base pairs whereas the side chain lies along the minor groove.
Synthesis, structure, properties and antimicrobial activity of para trifluoromethyl phenylboronic derivatives
2021
The [2-formyl-4-(trifluoromethyl)phenyl]boronic acid as well as its benzoxaborole and bis(benzoxaborole) derivatives were obtained and their properties studied. The 2-formyl compound displays an unusual structure in the crystalline state, with a significant twist of the boronic group, whereas in DMSO solution it tautomerizes with formation of a cyclic isomer. All the studied compounds exhibit relatively high acidity as well as a reasonable antimicrobial activity. Docking studies showed interactions of all the investigated compounds with the binding pocket of Candida albicans LeuRS. High activity against Bacillus cereus was determined for the 2-formyl compound as well as for the novel bis(be…
Verso una dimensione narrativa delle mappe
2021
Tra il pensiero e la costruzione dell’architettura il disegno ha un ruolo baricentrico per connettere i diversi protagonisti di una realizzazione e per coinvolgere la collettività facendo percepire inedite prospettive. La scrittura si rivela utile per esplicitare ciò che nella grafica è sotteso e per stabilire un ordine nuovo nel ragionamento progettuale. I rapporti fra segni e significati si moltiplicano nei sistemi informativi recenti in cui si ha la sensazione di poter dire moltissimo (dati numerici e spaziali) ma a volte sfugge quella sintesi indispensabile per una interpretazione concreta, finalizzata alla costruzione di possibili esperienze fisiche. Per l’esplorazione dell’uso di dive…
Digital Resilience to Normal Accidents in High-Reliability Organizations
2021
Digital technologies play a dual role on organizational resilience. On one side, digital systems introduce new technological risks. On the other side, digital systems increase the performances in response to hazardous accidents. Normal Accident Theory (NAT) and High-Reliability Organization (HRO) provide useful ground to explain the dynamics of digital resilience. However, the two theories have been either used as alternatives or with one theory dominating the other. We posit that to fully understand digital resilience we need to integrate NAT and HRO concepts instead of using them in isolation. We conduct a bibliometric analysis to identify major themes and application domains characterizi…
A full conformational space analysis of bilirubin
2009
Ab initio methods were utilized in a gas-phase systematic conformational search of bilirubin conformers. The whole molecule was divided into four fragments. Most stable conformers of them were employed to build 196 conformers of the complete bilirubin molecule. Initial geometries were optimized using HF/3-21G level of theory and the minimum energy conformers were then reoptimized at B3LYP/6-31G(d) level. Ridge-tile conformer was the most stable one, in perfect agreement with X-ray data. We found that while tetrapyrrole backbone shows some flexibility, propionic acid side chains have a greater influence in bilirubin conformation because they can interact through different hydrogen bond patte…
SUBSTRATE-ELICITED DISSOCIATION OF THE ISOSAFROLE METABOLITE-CYTOCHROME P-450 COMPLEX AND THE CONSEQUENTIAL REACTIVATION OF MONOOXYGENATION
1977
ABSTRACT The present study was initiated to determine whether the substrate-elicited dissociation of the isosafrole metabolite-cytochrome P-450 complex resulted in increased monooxygenase activity. It was found that the substrates p -nitroanisole and ethoxycoumarin would elicit dissociation, furthermore this dissociation was accompanied by increased dealkylation of the substrates. Benzo(a)pyrene was found not to effect the dissociation of the complex, while biphenyl, which undergoes a similar hydroxylation, was effective.
The effects of alpha-cypermethrin exposure on biochemical and redox parameters in pregnant rats and their newborns
2016
IF 2.388; International audience; Pyrethroid insecticides are extensively used in agriculture and in household activities. During pregnancy, they might affect maternal metabolic status and there after fetal development. In this work, we studied metabolic and redox effects of low dose alpha-cypermethrin exposure in pregnant rats and their offspring. The diet containing alpha cypermethrin at 0.02 mg/kg/day was consumed during the entire gestation. Plasma biochemical parameters as well as liver lipid and oxidative stress markers were determined. Our results showed that alpha-cypermethrin induced an increase in body weight and in plasma glucose and lipid levels, as well as in plasma aspartate a…
The efficacy and safety of ezetimibe/simvastatin combination compared with intensified lipid-lowering treatment strategies in diabetic subjects with …
2012
Aims The objective was to assess the consistency of effect of switching to ezetimibe/simvastatin 10/20 mg versus doubling the baseline statin dose (to simvastatin 40 mg or atorvastatin 20 mg) or switching to rosuvastatin 10 mg across subgroups of subjects with (n = 617) and without (n = 191) metabolic syndrome (MetS). Methods This was a post hoc analysis of a randomized, double-blind, 6-week study of adults 18–79 years with cardiovascular disease and diabetes mellitus with low-density lipoprotein cholesterol (LDL-C) ≥70 and ≤160 mg/dl. The percent change in LDL-C and other lipids was estimated within each subgroup separately. Safety and tolerability were assessed. Results In subjects with M…
Associations of the FTO rs9939609 and the MC4R rs17782313 polymorphisms with type 2 diabetes are modulated by diet, being higher when adherence to th…
2012
Background: Although the Fat Mass and Obesity (FTO) and Melanocortin-4 Receptor (MC4R) genes have been consistently associated with obesity risk, the association between the obesity-risk alleles with type 2 diabetes is still controversial. In some recent meta-analyses in which significant results have been reported, the associations disappeared after adjustment for body mass index (BMI). However gene-diet interactions with dietary patterns have not been investigated. Our main aim was to analyze whether these associations are modulated by the level of adherence to the Mediterranean Diet (MedDiet). Methods: Case-control study in 7,052 high cardiovascular risk subjects (3,430 type 2 diabetes c…
One-year atorvastatin treatment in hypercholesterolemic patients with or without carotid artery disease.
2006
Aim. Statins are the drugs of choice in heterozygous familial hypercholesterolemia (FH), which has a high risk of premature cardiovascular events including myocardial infarction, stroke, and surgical revascularization. Methods. A 1-year open-label study was conducted to test the efficacy and tolerability of Atorvastatin titrated to the target, in proven FH patients and to evaluate certain inflammatory parameters. One hundred and two FH patients (44 men and 58 women; mean age 58.7±3.6 years) were included in the study. After evaluation using the B-mode duplex scanning system of extracranial carotid arteries, the patients were divided into groups: Group 1 (15 men, 25 women) with carotid plaqu…