Structural-functional adaptations of porcine CYP1A1 to metabolize polychlorinated dibenzo-p-dioxins

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• 作者：Tomasz Molcan^a ; Sylwia Swigonska^b ; ^{sylwia.swigonska@uwm.edu.pl} ; Karina Orlowska^a ; Kamil Myszczynski^c ; Anna Nynca^b ; Agnieszka Sadowska^a ; Monika Ruszkowska^a ; Jan Pawel Jastrzebski^d ; Renata E. Ciereszko^a ; ^b
• 关键词：PCDDs ; CYP1A1 ; Molecular docking ; Molecular dynamics ; Access channels ; Pig
• 刊名：Chemosphere
• 出版年：2017
• 出版时间：February 2017
• 年：2017
• 卷：168
• 期：Complete
• 页码：205-216
• 全文大小：3388 K
• 卷排序：168

文摘

Five PCDDs differing in toxicity and ability to undergo degradation were studied. Homology-based model of porcine CYP1A1 was generated for the first time. Aa residues crucial for dioxin binding to the pCYP1A1 active site were identified. TCDD shown high affinity to pCYP1A1 and the greatest distance to its active site. Particular dioxins differ in their molecular interactions with pCYP1A1.