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SAR and QSAR in Environmental Research Volume 23, 2012 - Issue 1-2
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Original Articles

Docking and QSAR comparative studies of polycyclic aromatic hydrocarbons and other procarcinogen interactions with cytochromes P450 1A1 and 1B1

J. Gonzalez Université Bordeaux 1, Talence Cedex, France
,
N. Marchand-Geneste Université Bordeaux 1, Talence Cedex, FranceCorrespondence[email protected]
,
J.L. Giraudel Université Bordeaux 1, Talence Cedex, France
&
T. Shimada Laboratory of Cellular and Molecular Biology, Graduate School of Life and Environmental Sciences, Osaka Prefecture University, Osaka, Japan
Pages 87-109 | Received 01 Jun 2011, Accepted 09 Oct 2011, Published online: 08 Dec 2011

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Prajwal P Nandekar & Abhay T Sangamwar. (2012) Cytochrome P450 1A1-mediated anticancer drug discovery: in silico findings. Expert Opinion on Drug Discovery 7:9, pages 771-789.
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Articles from other publishers (14)

Rachel Moran, Ryan Nakamura, Ralph Isovitsch & Devin Iimoto. (2022) Diaryl triazenes inhibit cytochrome P450 1A1 and 1B1 more strongly than aryl morpholino triazenes. Bioorganic & Medicinal Chemistry Letters 59, pages 128570.
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Chengzhe Tao, Yun Fan, Rui Niu, Zhi Li, Hong Qian, Hao Yu, Qiaoqiao Xu, Qiujin Xu & Chuncheng Lu. (2021) Urinary polycyclic aromatic hydrocarbons and sex hormones in children and adolescents: Evidence from NHANES. Ecotoxicology and Environmental Safety 216, pages 112215.
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Shaniece Wauchope, Monika A. Roy, William Irvine, Isaac Morrison, Eileen Brantley, Maxine Gossell-Williams, Alicia R. Timme-Laragy & Rupika Delgoda. (2021) Dibenzyl trisulfide binds to and competitively inhibits the cytochrome P450 1A1 active site without impacting the expression of the aryl hydrocarbon receptor. Toxicology and Applied Pharmacology 419, pages 115502.
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Fatemeh Dialamehpour & Fatemeh Shafiei. (2019) Quantitative structure–property relationship models to predict thermodynamic properties of some mono and polycyclic aromatic hydrocarbons using genetic algorithm‐multiple linear regression. Journal of the Chinese Chemical Society 67:6, pages 969-982.
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Rebeca Santes-Palacios, Ana L. Marroquín-Pérez, Sandra L. Hernández-Ojeda, Rafael Camacho-Carranza, Tzipe Govezensky & J. Javier Espinosa-Aguirre. (2020) Human CYP1A1 inhibition by flavonoids. Toxicology in Vitro 62, pages 104681.
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Yun-Xin Yao, Nan-Nan Jia, Ya-Nan Cao, Xing-Xiu Chen, Feng Gao & Xiao-Xia Liang. (2018) Copper-Catalyzed Synthesis, Bio-Evaluation, and in Silico Studies of 2-Aryl-N-alkylbenzimidazoles as Neuroprotective Agents. Catalysts 8:10, pages 433.
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Zbigniew Dutkiewicz & Renata Mikstacka. (2018) Structure-Based Drug Design for Cytochrome P450 Family 1 Inhibitors. Bioinorganic Chemistry and Applications 2018, pages 1-21.
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Jayalakshmi Sridhar, Navneet Goyal, Jiawang Liu & Maryam Foroozesh. (2017) Review of Ligand Specificity Factors for CYP1A Subfamily Enzymes from Molecular Modeling Studies Reported to-Date. Molecules 22:7, pages 1143.
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Tomasz Molcan, Sylwia Swigonska, Karina Orlowska, Kamil Myszczynski, Anna Nynca, Agnieszka Sadowska, Monika Ruszkowska, Jan Pawel Jastrzebski & Renata E. Ciereszko. (2017) Structural-functional adaptations of porcine CYP1A1 to metabolize polychlorinated dibenzo-p-dioxins. Chemosphere 168, pages 205-216.
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Xueru Zhu, Zhao Wang, Jing He, Weiye Wang, Wenji Xue, Yiwei Wang, Leizhen Zheng & Mei-Ling Zhu. (2016) Associations between CYP1A1 rs1048943 A > G and rs4646903 T > C genetic variations and colorectal cancer risk: Proof from 26 case-control studies . Oncotarget 7:32, pages 51365-51374.
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Manish K. Gupta, Swati Gupta & Ravindra K. Rawal. 2016. Artificial Neural Network for Drug Design, Delivery and Disposition. Artificial Neural Network for Drug Design, Delivery and Disposition 153 179 .
Anita R. Iskandar. 2015. Computational Systems Toxicology. Computational Systems Toxicology 285 315 .
Vito Librando & Matteo Pappalardo. (2013) In silico bioremediation of polycyclic aromatic hydrocarbon: A frontier in environmental chemistry. Journal of Molecular Graphics and Modelling 44, pages 1-8.
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Jayalakshmi Sridhar, Jiawang Liu, Maryam Foroozesh & Cheryl L. Klein Stevens. (2012) Insights on Cytochrome P450 Enzymes and Inhibitors Obtained Through QSAR Studies. Molecules 17:8, pages 9283-9305.
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