Mechanism for the Potential Inhibition Effect of Microcystin-LR Disinfectant By-Products on Protein Phosphatase 2A.
Mechanism for the Potential Inhibition Effect of Microcystin-LR Disinfectant By-Products on Protein Phosphatase 2A.
复制标题
微囊藻毒素-LR消毒剂副产物对蛋白磷酸酶2A的潜在抑制作用机制
DOI：
10.3390/toxins14120878
复制
发表时间：
2022-12-16
期刊：
影响因子：
4.2
通讯作者：
Zong W
中科院分区：
文献类型：
--
作者：
Yu H;Xu Y;Cui J;Zong W
The secondary contamination of microcystin disinfection by-products (MC-DBPs) is of concern due to the residual structure similar to their original toxin. Based on identification and preparation, the potential inhibition effect of typical MCLR-DBPs (associated with the oxidation of Adda5) on PP2A was confirmed in the sequence of MCLR > P1 > P4 > P3 ≈ P2 > P7 ≈ P6 ≈ P5 > P8. To elucidate the molecular mechanism underlying the inhibition effect, the interaction models for typical MCLR-DBPs and PP2A were constructed using a modeling-based-on-ligand-similarity approach, and the candidate interaction parameters between typical MCLR-DBPs and PP2A were obtained by molecular docking. By analyzing the correlation between inhibition data and candidate interaction parameters, the key interaction parameters were filtered as hydrogen bonds “Adda5”←Asn117, “Adda5”←His118, MeAsp3←Arg89, Arg4←Arg214, Arg4→Pro213; ionic bonds Glu6-Arg89, Asp85-Mn12+, Asp57-Mn22+; and metal bonds Glu6-Mn12+, Glu6-Mn22+. With the gradual intensification of chlorination, Adda5 was destroyed to varying degrees. The key interactions changed correspondingly, resulting in the discrepant inhibition effects of typical MCLR-DBPs on PP2A.
登录
查看更多内容
影响因子：
15.1
作者：
Zong, Wansong;Sun, Feng;Pei, Ruoting
通讯作者：
Pei, Ruoting
微囊藻毒素-LR消毒剂副产物对蛋白磷酸酶1的差异抑制机制研究
影响因子：
5.8
作者：
Hu, Zhengxin;Wang, Xiaoning;Zong, Wansong
通讯作者：
Zong, Wansong
深入了解微囊藻毒素（MCLR、LA、LF、LW、LY）对蛋白磷酸酶 2A 差异抑制的分子机制
影响因子：
4.2
作者：
通讯作者：
--
影响因子：
2.8
作者：
AN, JS;CARMICHAEL, WW
通讯作者：
CARMICHAEL, WW
DOI：
10.1021/acsestwater.1c00090
发表时间：
2021-06-17
期刊：
ACS ES&T WATER
影响因子：
--
作者：
Guo, Yawen;O'Brien, Anna M.;Sinton, David
通讯作者：
Sinton, David