In Silico Assessment of the Acute Toxicity of Chemicals: Recent Advances and New Model for Multitasking Prediction of Toxic Effect

2015 ◽  
Vol 15 (8) ◽  
pp. 677-686 ◽  
Author(s):  
Valeria Kleandrova ◽  
Feng Luan ◽  
Alejandro Speck-Planche ◽  
M. Cordeiro
Keyword(s):  
Acute Toxicity ◽  
Toxic Effect ◽  
In Silico ◽  
New Model ◽  
Recent Advances

scholarly journals Acute Toxicity of Cu-MOF Nanoparticles (nanoHKUST-1) towards Embryos and Adult Zebrafish

2021 ◽  
Vol 22 (11) ◽  
pp. 5568
Author(s):  
Natalia Abramenko ◽  
Gregory Deyko ◽  
Evgeny Abkhalimov ◽  
Vera Isaeva ◽  
Lyubov Pelgunova ◽  
...  
Keyword(s):  
Acute Toxicity ◽  
Toxic Effect ◽  
Biomedical Applications ◽  
Copper Ions ◽  
Adult Zebrafish ◽  
Internal Organs ◽  
Copper Release ◽  
Transmission Electron ◽  
Concentration Dependency ◽  
Metal Organic

Metal-organic frameworks (MOFs) demonstrate unique properties, which are prospective for drug delivery, catalysis, and gas separation, but their biomedical applications might be limited due to their obscure interactions with the environment and humans. It is important to understand their toxic effect on nature before their wide practical application. In this study, HKUST-1 nanoparticles (Cu-nanoMOF, Cu3(btc)2, btc = benzene-1,3,5-tricarboxylate) were synthesized by the microwave (MW)-assisted ionothermal method and characterized by X-ray powder diffraction (XRD) and transmission electron microscopy (TEM) techniques. The embryotoxicity and acute toxicity of HKUST-1 towards embryos and adult zebrafish were investigated. To gain a better understanding of the effects of Cu-MOF particles towards Danio rerio (D. rerio) embryos were exposed to HKUST-1 nanoparticles (NPs) and Cu2+ ions (CuSO4). Cu2+ ions showed a higher toxic effect towards fish compared with Cu-MOF NPs for D. rerio. Both forms of fish were sensitive to the presence of HKUST-1 NPs. Estimated LC50 values were 2.132 mg/L and 1.500 mg/L for zebrafish embryos and adults, respectively. During 96 h of exposure, the release of copper ions in a stock solution and accumulation of copper after 96 h were measured in the internal organs of adult fishes. Uptake examination of the major internal organs did not show any concentration dependency. An increase in the number of copper ions in the test medium was found on the first day of exposure. Toxicity was largely restricted to copper release from HKUST-1 nanomaterials structure into solution.

scholarly journals Inhibition of Acetylcholinesterase and Butyrylcholinesterase by a Plant Secondary Metabolite Boldine

2018 ◽  
Vol 2018 ◽  
pp. 1-5 ◽  
Author(s):  
Adam Kostelnik ◽  
Miroslav Pohanka
Keyword(s):  
Toxic Effect ◽  
Secondary Metabolite ◽  
Cholinesterase Inhibitor ◽  
In Silico ◽  
Chemical Compounds ◽  
Spectrophotometric Assay ◽  
Plant Secondary Metabolite ◽  
Mechanism Of Inhibition ◽  
In Silico Study ◽  
Natural Alkaloid

Acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) are two enzymes sensitive to various chemical compounds having ability to bind to crucial parts of these enzymes. Boldine is a natural alkaloid and it was mentioned in some older works that it can inhibit some kinds of AChE. We reinvestigated this effect on AChE and also on BChE using acetyl (butyryl) thiocholine and Ellman’s reagents as standard substances for spectrophotometric assay. We found out IC50 of AChE equal to 372 μmol/l and a similar level to BChE, 321 μmol/l. We conclude our experiment by a finding that boldine is cholinesterase inhibitor; however we report significantly weaker inhibition than that suggested in literature. Likewise, we tried to investigate the mechanism of inhibition and completed it with in silico study. Potential toxic effect on cholinesterases in real conditions is also discussed.

In Silico Laboratory Experiments using Statistical Model Checking: A new model of the Palytoxin-Induced Pump Channel as Case Study

2020 ◽  
pp. 1-1
Author(s):  
Gabriel Domingo Vilallonga ◽  
Daniel Edgardo Riesco ◽  
Antonio-Carlos Guimaraes Almeida ◽  
Antonio Marcio Rodrigues ◽  
Sergio V. A. Campos
Keyword(s):  
Model Checking ◽  
Statistical Model ◽  
In Silico ◽  
Laboratory Experiments ◽  
Statistical Model Checking ◽  
New Model

Acute toxicity of chromium, mercury, molybdenum and nickel to the amphipod Allorchestes compressa

1982 ◽  
Vol 33 (3) ◽  
pp. 465 ◽  
Author(s):  
M Ahsanullah
Keyword(s):  
Water Quality ◽  
Acute Toxicity ◽  
Toxic Effect ◽  
Quality Criteria ◽  
Toxicity Tests ◽  
Water Quality Criteria ◽  
Acute Toxicity Tests

In acute toxicity tests on A. compressa, the 96-h LC50 values for mercury, chromium, nickel and molybdenum were: respectively, 0.08, 5.56,34.68 and 247.12 mg I-1. The results suggest that mercury has the most toxic effect on A. compressa, followed by chromium, nickel and molybdenum. The applicability of acute toxicity tests in establishing water-quality criteria is discussed.

Recent Advances in the In Silico Modelling of UDP Glucuronosyltransferase Substrates

2008 ◽  
Vol 9 (1) ◽  
pp. 60-69 ◽  
Author(s):  
Michael Sorich ◽  
Paul Smith ◽  
John Miners ◽  
Peter Mackenzie ◽  
Ross McKinnon
Keyword(s):  
In Silico ◽  
Recent Advances ◽  
Udp Glucuronosyltransferase ◽  
In Silico Modelling

scholarly journals Study of Acute Toxicity and Irritant Effect of Nasal Spray Naltrexone Hydrochloride

2021 ◽  
Vol 10 (2) ◽  
pp. 101-105
Author(s):  
Yu. M. Domnina ◽  
V. V. Suslov ◽  
S. A. Kedik ◽  
D. A. Akhmedova ◽  
A. P. Malkova
Keyword(s):  
Acute Toxicity ◽  
Toxic Effect ◽  
Nasal Spray ◽  
The Body ◽  
Laboratory Animals ◽  
Intragastric Administration ◽  
Naltrexone Hydrochloride ◽  
Adult Mice ◽  
High Doses ◽  
Low Dose Naltrexone

Introduction. Acute toxicity of naltrexone hydrochloride nasal spray during intragastric administration to mice and local irritant effect on rabbits was studied. At all stages of the experiment, observations were made on the General condition of the animals. The state of homeostasis was evaluated using functional, hematological and morphometric methods. According to the results of research, there was no local irritant effect on the eyes of rabbits, as well as no toxic effect of high doses of the drug on animals. Introduction. Naltrexone hydrochloride in doses of 1.5– 5 mg/day has shown its effectiveness in the treatment of a number of diseases. Due to the lack of such a "low-dose" naltrexone registered on the pharmaceutical market, we have developed the composition of the nasal spray naltrexone hydrochloride. One of the stages of our research is to study the safety of the drug being developed. The first step in this direction was to study its acute toxicity and local irritant effect.Aim. Study of acute toxicity and local irritant effect of naltrexone hydrochloride nasal spray.Materials and methods. The object of the study was a nasal spray of naltrexone hydrochloride. Acute toxicity studies were performed on outbred adult mice (females). Study of local irritant effect on Soviet chinchilla rabbits (males).Results and discussion. The study of acute toxicity showed that the drug, at a dose significantly higher than the estimated maximum daily therapeutic dose for humans, did not have a significant toxic effect on the body of laboratory animals. The presence of a local irritant effect in the studied drug was not established in the framework of the experiment.Conclusion. As part of the experiment, the drug under study did not have a local irritant or toxic effect on the animal body. The results obtained allow us to continue the development and study of the nasal spray naltrexone hydrochloride.

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