Molecular modeling of human cytochrome P450 2W1 and its interactions with substrates

Li, Weihua; Tang, Yun; Hoshino, Tyuji; Neya, Saburo

doi:10.1016/j.jmgm.2009.06.002

Cited by 22 publications

(10 citation statements)

References 47 publications

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“…CYP2W1 is expressed at relatively low levels (mRNA) in the human adult non-transformed tissues, whereas the expression in colorectal cancer tissues was significantly higher (both at mRNA and protein levels) [32][33][34]. This suggests that the extent of CYP2W1 expression in colorectal cancers might be a prognostic marker for malignancy and survival (Edler et al 2009).…”

Section: Cyp3a4mentioning

confidence: 99%

Role of xenobiotic metabolism in cancer: involvement of transcriptional and miRNA regulation of P450s

Tamási

Monostory

Prough

et al. 2010

Cell. Mol. Life Sci.

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Cytochrome P450 enzymes (P450s) are important targets in cancer, due to their role in xenobiotic metabolism. Since P450s are the "bridges" between the environment and our body, their function can be linked in many ways to carcinogenesis: they activate dietary and environmental components to ultimate carcinogens (i), the cancer tissue maintains its drug resistance with altered expression of P450s (ii), P450s metabolize (sometimes activate) drugs used for cancer treatment (iii) and they are potential targets for anticancer therapy (iiii). These highly polymorphic enzymes are regulated at multiple molecular levels. Regulation is as important as genetic difference in the existing individual variability in P450 activity. In this review, examples of the transcriptional (DNA methylation, histone modification, modulation by xenosensors) and post-transcriptional (miRNA) regulation will be presented and thereby introduce potential molecular targets at which the metabolism of anticancer drugs, the elimination of cancerogenes or the progress of carcinogenesis could be affected.

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Section: Cyp3a4mentioning

confidence: 99%

Role of xenobiotic metabolism in cancer: involvement of transcriptional and miRNA regulation of P450s

Tamási

Monostory

Prough

et al. 2010

Cell. Mol. Life Sci.

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“…We can only speculate on their impact, particularly that of the G541A (Ala181Thr) polymorphism, based on enzyme models. In this regard, Li and coworkers have recently reported a molecular tridimensional model of the human CYP2W1 enzyme [28]. According to this model, residue 181 is located towards the center of the protein structure.…”

Section: Discussionmentioning

confidence: 99%

CYP2W1 Variant Alleles in Caucasians and Association of the CYP2W1 G541A (Ala181Thr) Polymorphism with Increased Colorectal Cancer Risk

Gervasini¹,

Murillo

Ladero

et al. 2010

Pharmacogenomics

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“…Initially, the optimization of EGFR-inhibitor complex was carried out using Amber ff03 force field and 1000 step steepest descents followed by 2000 steps of conjugate gradient [31,32]. The complex was placed in centre of 90*90*90 cubic box and solvated by SPC/E water molecules [33].…”

Section: Molecular Dynamics Simulationsmentioning

confidence: 99%

Targeting the Epidermal Growth Factor Receptor: Exploring the Potential of Novel Inhibitor N-(3-Ethynylphenyl)-6, 7-bis (2-methoxyethoxy) Quinolin- 4-Amine Using Docking and Molecular Dynamics Simulation

Gupta

Misra²,

Pant³

et al. 2012

PPL

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Head and neck squamous cell carcinoma (HNSCC) is a major cause of cancer related death. The epidermal growth factor receptor (EGFR) pathway is over expressed in HNSCC. EGFR regulates the HNSCC by inducing signalling events responsible for regulating key tumorigenic processes such as proliferation, inhibition of apoptosis, cell adhesion/ motility, growth and survival. Present study evaluates the potential of N-(3-Ethynylphenyl)-6, 7-bis (2-methoxyethoxy) quinolin-4-amine as a new inhibitor for EGFR. We have explored the binding and inhibitory potential of the compound using molecular docking, structural interactions fingerprinting and molecular dynamics studies. The inhibitor exhibits extensive interactions with the EGFR catalytic site in the form of hydrogen bonds, pi-pi bond and salt bridges. It shows high specificity and binding affinity towards the protein. The compound can further be explored for its potential to serve in the diagnosis and treatment of HNSCC. The quantitative prediction provides a scope for future experimental testing, facilitating the understanding of the crosstalks between signalling pathways.

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Molecular modeling of human cytochrome P450 2W1 and its interactions with substrates

Cited by 22 publications

References 47 publications

Role of xenobiotic metabolism in cancer: involvement of transcriptional and miRNA regulation of P450s

Role of xenobiotic metabolism in cancer: involvement of transcriptional and miRNA regulation of P450s

CYP2W1 Variant Alleles in Caucasians and Association of the CYP2W1 G541A (Ala181Thr) Polymorphism with Increased Colorectal Cancer Risk

Targeting the Epidermal Growth Factor Receptor: Exploring the Potential of Novel Inhibitor N-(3-Ethynylphenyl)-6, 7-bis (2-methoxyethoxy) Quinolin- 4-Amine Using Docking and Molecular Dynamics Simulation

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