In silico approaches in organ toxicity hazard assessment: Current status and future needs in predicting liver toxicity

Bassan, Arianna; Alves, Vinicius M.; Amberg, Alexander; Anger, Lennart T.; Auerbach, Scott S.; Beilke, Lisa; Bender, Andreas; Cronin, Mark T.D.; Cross, Kevin P.; Hsieh, Jui-Hua; Greene, Nigel; Kemper, Raymond A.; Kim, Marlene T.; Mumtaz, Moiz; Noeske, Tobias; Pavan, Manuela; Pletz, Julia; Russo, Daniel P.; Sabnis, Yogesh; Schaefer, Markus; Szabo, David T.; Valentin, Jean‐Pierre; Wichard, Joerg; Williams, Dominic P.; Woolley, David; Zwickl, Craig; Myatt, Glenn J.

doi:10.1016/j.comtox.2021.100187

Cited by 26 publications

(15 citation statements)

References 174 publications

(203 reference statements)

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“…A wireless communication device is used for communication between the two cars. The product has been tested by the German market and has mature performance [13].…”

Section: Ambergmentioning

confidence: 99%

Railway Defect Detection Method: A Review

Ing

Li²

2022

Constr.

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The railway is indeed one of the main transportations means in the world. However, with the rapid development and advancement of the railway industries, more railways accidents occur mainly due to its defects which result in economic losses. Traditionally, the railway defect detections process which is deems to be dirty, difficult and dangerous are done manually by the railway maintenance workers. In the recent years, many sophisticated equipment such as portable detectors, track inspection trolleys, track comprehensive inspection vehicles, etc had been developed. This article outlines two main mode of inspection namely static and dynamic inspection, which are commonly used in the railway defect detection and maintenance work. Furthermore, the railway inspection equipment used by the major countries are summarized and the impact on railway inspection based on deep learning and artificial intelligence are appropriately predicted.

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“…A wireless communication device is used for communication between the two cars. The product has been tested by the German market and has mature performance [13].…”

Section: Ambergmentioning

confidence: 99%

Railway Defect Detection Method: A Review

Ing

Li²

2022

Constr.

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“…Histopathology-related findings included in preclinical toxicity study reports for regulatory submissions can be organized in two-level clusters of terms (see Table 3) related to similar findings (and, possibly, similar mechanisms) [36]. As demonstrated in our sister publication on liver [8], such organization is important for the development of an assessment framework for kidney toxicity (as outlined in Figure 2), where the consistent use of defined terminology and ontologies is crucial to map actual data.…”

Section: Kidney Toxicity -Processes and Endpointsmentioning

confidence: 99%

“…Histopathological observations included in preclinical toxicity study reports for regulatory submissions have been organized in groups of similar findings (and mechanism) [36]; as in the case of other organ toxicities (i.e., toxicity to liver and kidney) [8], heart-related histopathology data can be structured in two-level clusters (i.e., tissue damage, inflammatory changes, structural alterations), that can be further separated into more specific groups of terms as shown in Table 6. As in case of other organs, the consistent use of terminology is key for later re-use of the data generated.…”

Section: Heart Toxicity -Processes and Endpointsmentioning

confidence: 99%

“…Hence the development of an IST protocol first requires the definition of an assessment framework that outlines how to integrate data originating from different sources, e.g., in vivo and alternative methods including in silico predictions. A basic assessment framework has been drafted and proposed for liver toxicity and this is shown in Figure 2 [8]. The current work is a preparatory step for the development of IST protocols for other organ toxicities, and more specifically for the development of a framework that integrates in silico methods predicting potential adverse effects from the molecular structure of chemicals.…”

Section: Introductionmentioning

confidence: 99%

“…Figure 8. Draft outline of potential hazard assessment framework for organ toxicity (adapted from[8]). The draft framework combines information from in vitro approaches (e.g., biological responses from receptor-based assays), in vivo experiments, and human data.Other protocols (e.g., ADME or other organs) may feed a protocol for a given organ.…”

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confidence: 99%

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In silico approaches in organ toxicity hazard assessment: Current status and future needs for predicting heart, kidney and lung toxicities

Bassan

Alves

Amberg

et al. 2021

Computational Toxicology

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Cinnamaldehyde as a Potential Cathepsin‐B Inhibitor: A Comparative Investigation with some Commercial Anticancer Drugs

Vashisth,

Kumar Verma,

Afshari

et al. 2024

Chemistry & Biodiversity

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Cancer is a leading cause of death worldwide, surpassed only by heart disease. Despite improved diagnosis and treatment, cancer cells still evade normal physiological processes such as apoptosis, metabolism, angiogenesis, cell cycle, and epigenetics. To mitigate the numerous side effects linked to chemotherapy, leveraging natural products emerged as a promising alternative, either alone or in tandem with traditional agents. Cinnamaldehyde, an active ingredient of Cinnamomum cassia's stem bark has emerged as a molecule of research with diverse pharmacological properties. In the present study, we report an in silico potential of cinnamaldehyde (CM) potential as an anticancer agent across thirteen anti‐cancer targets in comparison with chlorambucil (CB), docetaxel (DOC), melphalan (MP). Computational tools such as DFT, CHEM3D, molinspiration, vNNADMET, SWISS ADME, admetSAR, galaxyrefine, iGEMDOCK, and DS‐Visualizer were employed. Additionally, anti‐cathepsin B activity was assessed for cinnamaldehyde and the mentioned drugs and the results showed comparable inhibition at nano Molar concentrations. The results supported molecular docking using iGEMDOCK. Both in silico and experimental findings substantiate cinnamaldehyde as a promising drug for cancer treatment including metastasis and invasion where cathepsin B involvement is indicated.

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In silico approaches in organ toxicity hazard assessment: Current status and future needs in predicting liver toxicity

Cited by 26 publications

References 174 publications

Railway Defect Detection Method: A Review

Railway Defect Detection Method: A Review

In silico approaches in organ toxicity hazard assessment: Current status and future needs for predicting heart, kidney and lung toxicities

Cinnamaldehyde as a Potential Cathepsin‐B Inhibitor: A Comparative Investigation with some Commercial Anticancer Drugs

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