In Silico simulation of Cytochrome P450-Mediated metabolism of aromatic amines: A case study of N-Hydroxylation

Zhang, Huanni; Wang, Chenchen; Guo, Fei; Jin, Lingmin; Song, Runqian; Yang, Fangxing; Ji, Li; H, Yu

doi:10.1016/j.ecoenv.2022.113544

Cited by 5 publications

(3 citation statements)

References 39 publications

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“…Their separation is indispensable for environmental protection since their own high toxicity. 37,38 However, their similarity in structure and properties makes their separation problematic in GC. Noteworthy, as the differences between the boiling points of the pairs of m -chloroaniline/ p -chloroaniline and m -bromoaniline/ p -bromoaniline are only 1–2 °C and the differences of dipole moments are only 0.38 Debye and 0.41 Debye, respectively, their separations in GC are extremely challenging.…”

Section: Resultsmentioning

confidence: 99%

Hydroxyl-functionalized pillar[5]arene with high separation performance for gas chromatography

Ba,

Li,

Song

et al. 2024

Analyst

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Section: Resultsmentioning

confidence: 99%

Hydroxyl-functionalized pillar[5]arene with high separation performance for gas chromatography

Ba,

Li,

Song

et al. 2024

Analyst

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“… 100 Despite clear hazard information for a subset of AAs, many have limited information on toxicity. Novel techniques incorporating computational toxicology 130 , 131 or proteome profiling 132 have improved available information for azo dyes and some AAs, and there is clear potential for the further application of such techniques for less studied AAs, such as the metabolites of brominated azo dyes. 132 …”

Section: Hazards and Regulationmentioning

confidence: 99%

Tracking Aromatic Amines from Sources to Surface Waters

Edebali,

Krupčíková,

Goellner

et al. 2024

Environ. Sci. Technol. Lett.

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This review examines the environmental occurrence and fate of aromatic amines (AAs), a group of environmental contaminants with possible carcinogenic and mutagenic effects. AAs are known to be partially responsible for the genotoxic traits of industrial wastewater (WW), and AA antioxidants are acutely toxic to some aquatic organisms. Still, there are gaps in the available data on sources, occurrence, transport, and fate in domestic WW and indoor environments, which complicate the prevention of adverse effects in aquatic ecosystems. We review key domestic sources of these compounds, including cigarette smoke and grilled protein-rich foods, and their presence indoors and in aquatic matrices. This provides a basis to evaluate the importance of nonindustrial sources to the overall environmental burden of AAs. Appropriate sampling techniques for AAs are described, including copper-phthalocyanine trisulfonate materials, XAD resins in solid-phase extraction, and solid-phase microextraction methods, which can offer insights into AA sources, transport, and fate. Further discussion is provided on potential progress in the research of AAs and their behavior in an aim to support the development of a more comprehensive understanding of their effects and potential environmental risks.

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“…A second electron is transported, perhaps from ferredoxins, cytochrome b5, or cytochrome P450 reductase, reducing the Fe-O 2 compound to produce a transitory peroxo state. When the peroxo group created in step 4 is quickly protonated twice, one molecule of water is released, and P450 Compound 1, a highly reactive species, is created (or just Compound I) [ 44 ]. The fate of an anticancer agent inside the cell and in the extracellular medium is depicted in Fig.…”

Section: Mechanism By Which Anti-cancer Drugs Are Metabolizedmentioning

confidence: 99%

Evidence-based capacity of natural cytochrome enzyme inhibitors to increase the effectivity of antineoplastic drugs

Manthalkar

AJAZUDDIN²,

Bhattacharya

2022

Discov Onc

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Cytochrome (CYP) enzymes catalyze the metabolism of numerous exogenous and endogenous substrates in cancer therapy leading to significant drug interactions due to their metabolizing effect. CYP enzymes play an important role in the metabolism of essential anticancer medications. They are shown to be overexpressed in tumor cells at numerous locations in the body. This overexpression could be a result of lifestyle factors, presence of hereditary variants of CYP (Bio individuality) and multi-drug resistance. This finding has sparked an interest in using CYP inhibitors to lower their metabolizing activity as a result facilitating anti-cancer medications to have a therapeutic impact. As a result of the cytotoxic nature of synthetic enzyme inhibitors and the increased prevalence of herbal medication, natural CYP inhibitors have been identified as an excellent way to inhibit overexpression sighting their tendency to show less cytotoxicity, lesser adverse drug reactions and enhanced bioavailability. Nonetheless, their effect of lowering the hindrance caused in chemotherapy due to CYP enzymes remains unexploited to its fullest. It has been observed that there is a substantial decrease in first pass metabolism and increase in intestinal absorption of chemotherapeutic drugs like paclitaxel when administered along with flavonoids which help suppress certain specific cytochrome enzymes which play a role in paclitaxel metabolism. This review elaborates on the role and scope of phytochemicals in primary, secondary and tertiary care and how targeted prevention of cancer could be a breakthrough in the field of chemotherapy and oncology. This opens up a whole new area of research for delivery of these natural inhibitors along with anticancer drugs with the help of liposomes, micelles, nanoparticles, the usage of liquid biopsy analysis, artificial intelligence in medicine, risk assessment tools, multi-omics and multi-parametric analysis. Further, the site of action, mechanisms, metabolites involved, experimental models, doses and observations of two natural compounds, quercetin & thymoquinone, and two plant extracts, liquorice & garlic on CYP enzymes have been summarized. Graphical Abstract

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In Silico simulation of Cytochrome P450-Mediated metabolism of aromatic amines: A case study of N-Hydroxylation

Cited by 5 publications

References 39 publications

Hydroxyl-functionalized pillar[5]arene with high separation performance for gas chromatography

Hydroxyl-functionalized pillar[5]arene with high separation performance for gas chromatography

Tracking Aromatic Amines from Sources to Surface Waters

Evidence-based capacity of natural cytochrome enzyme inhibitors to increase the effectivity of antineoplastic drugs

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