Abstract:
:ABSTRACT This paper presents the results from an evaluation of the noncommercial, (quantitative) structure-activity relationship ([Q]SAR) models for the prediction of mutagenicity and carcinogenicity, carried out in a collaboration between the European Chemicals Bureau Group on Computational Toxicology and the Italian Istituto Superiore di Sanita'. Local QSAR models for congeneric chemical classes and structure alert (SA) models were investigated. The studied models can be interpreted mechanistically, agree with, and/or support the available scientific knowledge, and exhibit good statistics. These models were subjected to external prediction tests with chemicals not considered by the authors of the models. Local QSARs that estimated the potency of congeneric chemicals were 30% to 70% correct, whereas the models that discriminated active and inactive chemicals had considerably higher accuracy (70% to 100%). In addition, the commonly used statistical internal cross-validation procedures were poorly correlated with external validation statistics. The genotoxic-based SA models had an accuracy of about 65% for rodent carcinogens, and about 75% for Salmonella mutagens. However, the SA models did not discriminate well active and inactive chemicals within individual chemical classes, and are more suited for preliminary or large-scale screenings. Overall, the (Q)SAR-based predictions are able to significantly enrich the target of safer chemicals, contribute to the organization and rationalization of data, elucidate mechanisms of action, and complement data from other sources.
journal_name
Toxicol Mech Methodsjournal_title
Toxicology mechanisms and methodsauthors
Benigni R,Bossa Cdoi
10.1080/15376510701857056subject
Has Abstractpub_date
2008-01-01 00:00:00pages
137-47issue
2-3eissn
1537-6516issn
1537-6524journal_volume
18pub_type
杂志文章abstract::Ethanol metabolism induces generation of excessive amount of reactive oxygen species (ROS) which results in immune dysfunction. We examined the efficacy of silymarin on ethanol-induced oxidative stress, immunomodulatory activity, and vascular function in mice blood. Effectiveness of silymarin was compared with potent ...
journal_title:Toxicology mechanisms and methods
pub_type: 杂志文章
doi:10.3109/15376516.2012.673090
更新日期:2012-06-01 00:00:00
abstract::The metabolism of aromatic hydrocarbons by the organism forms products that cause cell death depending on the type of exposure. Benzene exposure has been linked to oxidative stress, hepatic damage, aplastic anemia, and hematopoietic cancer as lymphoid and myeloid leukemia. However, there are not fast methods to evalua...
journal_title:Toxicology mechanisms and methods
pub_type: 杂志文章
doi:10.1080/15376516.2018.1455786
更新日期:2018-07-01 00:00:00
abstract::The specific properties of silver nanoparticles (AgNPs), such as antimicrobial activity and electrical conductivity, allow them to be used in many fields. However, their expanding application is also raising health, environmental and safety concerns. Previous in vivo AgNP toxicity studies have indicated a gender-diffe...
journal_title:Toxicology mechanisms and methods
pub_type: 杂志文章
doi:10.3109/15376516.2013.780196
更新日期:2013-07-01 00:00:00
abstract:BACKGROUND:The potential toxicity resulting from the possible interactions of the herbicides, Ultrazin (atrazine, ATZ) and Bretmont Wipeout (glyphosate, GLY) (as commercialized in Nigeria), is not completely known. We therefore evaluated reproductive- and hepato-toxicity in rats co-exposed to ATZ and GLY. METHODS:Six ...
journal_title:Toxicology mechanisms and methods
pub_type: 杂志文章
doi:10.3109/15376516.2014.989349
更新日期:2015-01-01 00:00:00
abstract::Miniscrew implants are widely used nowadays in orthodontic treatments due to their good results in clinical practice. However, data regarding the biocompatibility of commercially available orthodontic miniscrews and temporary devices are very scarce, and their role as genotoxicity inducers has been not previously eval...
journal_title:Toxicology mechanisms and methods
pub_type: 杂志文章
doi:10.3109/15376516.2015.1053652
更新日期:2015-01-01 00:00:00
abstract::For good performance in clinical and forensic toxicology, it is important to be aware of the signs and symptoms related to xenobiotic exposure since they will assist clinicians to reach a useful and rapid diagnosis. This manuscript highlights and critically analyses clinical and forensic imaging related to ethanol abu...
journal_title:Toxicology mechanisms and methods
pub_type: 杂志文章,评审
doi:10.3109/15376516.2013.869782
更新日期:2014-02-01 00:00:00
abstract::During the last years, much attention was focused on the measurement of 8-oxo-7,8-dihydro-2'-deoxyguanosine (8-oxo-dG) as a marker of oxidative DNA damage. Among various analytical techniques, the (32)P-postlabeling assay has been applied in determination of 8-oxo-dG. However, artefactual DNA oxidation could take plac...
journal_title:Toxicology mechanisms and methods
pub_type: 杂志文章
doi:10.1080/15376520600616909
更新日期:2006-01-01 00:00:00
abstract::Human exposure to copper oxide (CuO) nanoparticles (NPs) is rapidly increasing and for this reason reliable toxicity test systems are urgently needed. Recently, the acute cytotoxicity of CuO NPs using the new toxicity test based on human bone marrow mesenchymal stem cells (hBMMSCs) has been evaluated. It was shown tha...
journal_title:Toxicology mechanisms and methods
pub_type: 杂志文章
doi:10.1080/15376516.2016.1220654
更新日期:2016-10-01 00:00:00
abstract::ABSTRACT Ochratoxin A (OTA) and citrinin (CTN) are two mycotoxins, quite common contaminants, that can occur jointly in a wide range of food commodities. Both mycotoxins have several toxic effects but both share a significant nephrotoxic potential since OTA and CTN were reported to be responsible for naturally occurri...
journal_title:Toxicology mechanisms and methods
pub_type: 杂志文章
doi:10.1080/15376510701556682
更新日期:2008-01-01 00:00:00
abstract::Preeclampsia is a multisystem disorder with profound implications on both mother and fetus. Analysis of umbilical cord blood red blood cell (RBC) changes shall depict the fetal response to pregnancy-specific complications like preeclampsia. This study aims to analyze the regulation relationship between HSP90α and heme...
journal_title:Toxicology mechanisms and methods
pub_type: 杂志文章
doi:10.3109/15376516.2012.725432
更新日期:2013-02-01 00:00:00
abstract::Timolol is a medication used widely to treat glaucoma. Regarding Ca2+ signaling, timolol was shown to modulate Ca2+-related physiology in various cell types, however, the effect of timolol on Ca2+ homeostasis and cell viability has not been explored in human prostate cancer cells. The aim of this study was to explore ...
journal_title:Toxicology mechanisms and methods
pub_type: 杂志文章
doi:10.1080/15376516.2018.1540024
更新日期:2019-02-01 00:00:00
abstract::ABSTRACT Body packers are people who illegally carry drugs, mostly cocaine as well as opium and/or heroin, concealed within their bodies. The packets are inserted in the mouth, rectum, or vagina in order to get across borders without being detected. In this presentation we report a case of an opium body packer and rev...
journal_title:Toxicology mechanisms and methods
pub_type: 杂志文章
doi:10.1080/15376510600992574
更新日期:2007-01-01 00:00:00
abstract::Zinc (Zn) is one of the essential trace elements and has numerous physiological functions. Zn acts as an antioxidant and also as a part of other antioxidant related proteins, such as metallothionein (MT) and Zn-copper superoxide dismutase. Zn deficiency often occurs in patients with diabetes. Therefore, the effect of ...
journal_title:Toxicology mechanisms and methods
pub_type: 杂志文章,评审
doi:10.3109/15376516.2012.735277
更新日期:2013-01-01 00:00:00
abstract::In pregnancy, opioids may be used medically and also misused. We hypothesized that the umbilical cord (UC) could be a good screening tool for determining opioid exposure and improving medical care. One hundred and one UC, each with 50 associated ICD9/ICD10 codes were used. Using predictive pharmacokinetic analysis we ...
journal_title:Toxicology mechanisms and methods
pub_type: 杂志文章
doi:10.1080/15376516.2018.1506850
更新日期:2019-01-01 00:00:00
abstract::Histone deacetylase 2 (HDAC2), a prominent member of the class I HDAC family, plays crucial roles in inflammation and other pathological processes. Recent studies have found that the activity and expression of HDAC2 were altered under oxidative stress conditions. The aim of the current study was to elucidate the expre...
journal_title:Toxicology mechanisms and methods
pub_type: 杂志文章
doi:10.3109/15376516.2012.716091
更新日期:2012-10-01 00:00:00
abstract:BACKGROUND AND OBJECTIVES:The aim of this study was to evaluate genotoxicity and mutagenicity in peripheral blood and buccal mucosal cells in mucopolysaccharidosis (MPS) I, II or VI patients. METHODS:A total of 12 patients with MPS type I, II and VI attended at the Institute of Genetics and Inborn Errors of Metabolism...
journal_title:Toxicology mechanisms and methods
pub_type: 杂志文章
doi:10.3109/15376516.2014.956913
更新日期:2014-12-01 00:00:00
abstract::Benzo(a)pyrene (BaP) was a well-known environmental pollutant, numerous studies had implicated BaP as a causative agent in human cancer, particularly lung cancer. The lemongrass essential oil (LEO) possessed various pharmacological activities, especially the anti-oxidative stress and cancer prevention. In the current ...
journal_title:Toxicology mechanisms and methods
pub_type: 杂志文章
doi:10.1080/15376516.2016.1266541
更新日期:2017-02-01 00:00:00
abstract::The need for reliable results in Toxicological Analysis is recognized and required worldwide. The analytical validation ensures that a method will provide trustworthy information about a particular sample when applied in accordance with a predefined protocol, being able to determine a specific analyte at a distinct co...
journal_title:Toxicology mechanisms and methods
pub_type: 杂志文章
doi:10.1080/15376516.2020.1839612
更新日期:2021-01-01 00:00:00
abstract::Silver and gold nanoparticles (Ag-AuNPs) are currently some of the most manufactured nanomaterials. Accordingly, the hazards associated with human exposure to Ag-AuNPs should be investigated to facilitate the risk assessment process. In particular, because pulmonary exposure to Ag-AuNPs occurs during handling of these...
journal_title:Toxicology mechanisms and methods
pub_type: 杂志文章
doi:10.3109/15376516.2015.1025347
更新日期:2015-01-01 00:00:00
abstract::Owing to their structure and function, low-density lipoproteins (LDLs) are particularly susceptible to the oxidative modifications. To prevent against oxidative modification of LDL, L-carnitine, with endogenous small water-soluble quaternary amine possessing antioxidative properties, was used. The aim of this paper wa...
journal_title:Toxicology mechanisms and methods
pub_type: 杂志文章
doi:10.1080/15376510701623508
更新日期:2008-07-01 00:00:00
abstract:CONTEXT:Although the liver is the primary target organ in acetaminophen (APAP) toxicity, other organs are affected. Previous data suggested that chronic APAP abuse can be ototoxic and the mechanism involves APAP-induced oxidative stress and reactive metabolite (N-acetyl-p-benzoquinone imine, NAPQI)-induced endoplasmic ...
journal_title:Toxicology mechanisms and methods
pub_type: 杂志文章
doi:10.3109/15376516.2015.1122136
更新日期:2016-02-01 00:00:00
abstract:OBJECTIVE:The objective of the present study is to evaluate the antihyperlipidemic effect of Chlorella pyrenoidosa in diabetic rats exposed to cadmium (Cd). MATERIALS AND METHODS:Group 1 and 2 rats were treated as control and C. pyrenoidosa control. Group 3 and 4 rats were given single injection of streptozotocin (40 ...
journal_title:Toxicology mechanisms and methods
pub_type: 杂志文章
doi:10.3109/15376516.2012.714007
更新日期:2012-10-01 00:00:00
abstract::In this study, 162 samples were analysed for monomer styrene content with using high performance liquid chromatography (HPLC) method in hot tea, milk, cocoa milk. The monomer styrene content, expressed in microg/l of drink and the level of migration of styrene monomer were varied from 0.61 to 8.15 for hot tea, from 0....
journal_title:Toxicology mechanisms and methods
pub_type: 杂志文章
doi:10.1080/15376510802510299
更新日期:2009-03-01 00:00:00
abstract::Some environmental pollutants derived from industrial processes have been suggested to be responsible for neurological impairment in children, especially in heavily polluted areas. Since these compounds are usually activators of aryl hydrocarbon receptor (AhR), it would be important to better understand the molecular ...
journal_title:Toxicology mechanisms and methods
pub_type: 杂志文章
doi:10.3109/15376516.2015.1070227
更新日期:2015-01-01 00:00:00
abstract::Oral cocaine administration results in hepatic necrosis, increased plasma transaminase concentration, and decreased antioxidative capability, which is potentiated by lipopolysaccharide (LPS) in male CF-1 mice. Females administered the same treatment regimen display none of the hepatotoxic effects seen in their male co...
journal_title:Toxicology mechanisms and methods
pub_type: 杂志文章
doi:10.1080/153765291009840
更新日期:2005-01-01 00:00:00
abstract::Ethanol metabolism is accompanied by generation of free radicals that damage cell components, especially lipids. The present study was designed to investigate the efficacy of the preventive effect of black tea on the lipid oxidative modifications in different tissues (plasma, liver, brain, kidney, stomach, lung, intes...
journal_title:Toxicology mechanisms and methods
pub_type: 杂志文章
doi:10.1080/15376510701624050
更新日期:2008-07-01 00:00:00
abstract::Crotonaldehyde is a hazardous pollutant present in cigarette smoke and automobile exhausts that is generated by lipid peroxidation, and harmful to reproductive organs. Although we are often exposed to low doses of crotonaldehyde daily, its adverse effects on the reproductive organs have not been fully elucidated. To e...
journal_title:Toxicology mechanisms and methods
pub_type: 杂志文章
doi:10.1080/15376516.2019.1646369
更新日期:2020-01-01 00:00:00
abstract::In cosmetics and food products, parabens are widely used as antimicrobial agents. Reports have suggested that parabens may be linked to infertility, owing to their effects on basal steroidogenesis properties or their capacity to inflict mitochondrial damage. Despite growing concerns about parabens as endocrine disrupt...
journal_title:Toxicology mechanisms and methods
pub_type: 杂志文章
doi:10.1080/15376516.2020.1741052
更新日期:2020-06-01 00:00:00
abstract::Impurities in drug substances and drug products generally do not have beneficial effects and may impose a risk without associated benefit. Levofloxacin n-oxide is an impurity isolated from levofloxacin. However there is insufficient toxic information about levofloxacin n-oxide. This study investigates the genotoxicity...
journal_title:Toxicology mechanisms and methods
pub_type: 杂志文章
doi:10.3109/15376516.2011.635319
更新日期:2012-04-01 00:00:00
abstract::Chlorpyrifos (CPF) is one of the organophosphorus pesticides widely used around the world, especially in China. Acetylcholinesterase inhibition is the main effect of organophosphorus insecticides exposure. Studies showed that CPF may also interfere with the metabolism of monoamine transmitters. To investigate the effe...
journal_title:Toxicology mechanisms and methods
pub_type: 杂志文章
doi:10.3109/15376516.2012.657260
更新日期:2012-05-01 00:00:00