Heterologous Overexpression of Cytochrome P450BM3 from <i>Bacillus megaterium</i> and Its Role in Gossypol Reduction

Gossypol is a polyphenolic toxic compound present in cotton plants. To determine whether the candidate cytochrome P450BM3 enzymes could reduce gossypol in vitro, functional recombinant cytochrome P450BM3 enzymes were successfully expressed in <i>E. coli</i>. Site-directed mutagenesis gen...

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Main Authors: Wenpeng Fan, Jingjing Cui, Tongxiang Xu, Shiheng Xu, Zulibina Ainiwaer, Qiyu Luo, Caidie Wang
Format: Article
Language:English
Published: MDPI AG 2025-05-01
Series:Toxins
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Online Access:https://www.mdpi.com/2072-6651/17/5/253
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author Wenpeng Fan
Jingjing Cui
Tongxiang Xu
Shiheng Xu
Zulibina Ainiwaer
Qiyu Luo
Caidie Wang
author_facet Wenpeng Fan
Jingjing Cui
Tongxiang Xu
Shiheng Xu
Zulibina Ainiwaer
Qiyu Luo
Caidie Wang
author_sort Wenpeng Fan
collection DOAJ
description Gossypol is a polyphenolic toxic compound present in cotton plants. To determine whether the candidate cytochrome P450BM3 enzymes could reduce gossypol in vitro, functional recombinant cytochrome P450BM3 enzymes were successfully expressed in <i>E. coli</i>. Site-directed mutagenesis generated mutants (R162H, R162K, Q129H, Q129N) to explore structural determinants of catalytic efficiency. Both wild-type P450BM3 and mutants exhibited significant ability to reduce gossypol levels, with R162H and R162K showing 33.4% and 24.2% reduced catalytic efficiency compared with the wild-type enzyme, respectively. Q129H and Q129N mutants maintained comparable catalytic efficiency to the wild type. Metabolomic profiling revealed two distinct reducing pathways catalyzed by wild-type P450BM3 and its mutants (R162H/Q129H), involving decarboxylation, hydroxylation, and C-C bond cleavage. This study demonstrated the feasibility of P450BM3 as a highly efficient biocatalyst for reducing gossypol levels, speculated that Arg162 might be a critical active residue, and hypothesized the potential pathways by which P450BM3 catalyzes the reduction of gossypol content, thereby providing a theoretical foundation for the enzymatic reduction of gossypol.
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spelling doaj-art-cbca998ac9df4c6496b87456880acb5d2025-08-20T03:12:09ZengMDPI AGToxins2072-66512025-05-0117525310.3390/toxins17050253Heterologous Overexpression of Cytochrome P450BM3 from <i>Bacillus megaterium</i> and Its Role in Gossypol ReductionWenpeng Fan0Jingjing Cui1Tongxiang Xu2Shiheng Xu3Zulibina Ainiwaer4Qiyu Luo5Caidie Wang6Xinjiang Key Laboratory of Herbivore Nutrition for Meat & Milk, Research Center for Biofeed and Animal Gut Health, College of Animal Sciences, Xinjiang Agricultural University, Urumqi 830052, ChinaXinjiang Key Laboratory of Herbivore Nutrition for Meat & Milk, Research Center for Biofeed and Animal Gut Health, College of Animal Sciences, Xinjiang Agricultural University, Urumqi 830052, ChinaXinjiang Key Laboratory of Herbivore Nutrition for Meat & Milk, Research Center for Biofeed and Animal Gut Health, College of Animal Sciences, Xinjiang Agricultural University, Urumqi 830052, ChinaXinjiang Key Laboratory of Herbivore Nutrition for Meat & Milk, Research Center for Biofeed and Animal Gut Health, College of Animal Sciences, Xinjiang Agricultural University, Urumqi 830052, ChinaXinjiang Key Laboratory of Herbivore Nutrition for Meat & Milk, Research Center for Biofeed and Animal Gut Health, College of Animal Sciences, Xinjiang Agricultural University, Urumqi 830052, ChinaXinjiang Key Laboratory of Herbivore Nutrition for Meat & Milk, Research Center for Biofeed and Animal Gut Health, College of Animal Sciences, Xinjiang Agricultural University, Urumqi 830052, ChinaXinjiang Key Laboratory of Herbivore Nutrition for Meat & Milk, Research Center for Biofeed and Animal Gut Health, College of Animal Sciences, Xinjiang Agricultural University, Urumqi 830052, ChinaGossypol is a polyphenolic toxic compound present in cotton plants. To determine whether the candidate cytochrome P450BM3 enzymes could reduce gossypol in vitro, functional recombinant cytochrome P450BM3 enzymes were successfully expressed in <i>E. coli</i>. Site-directed mutagenesis generated mutants (R162H, R162K, Q129H, Q129N) to explore structural determinants of catalytic efficiency. Both wild-type P450BM3 and mutants exhibited significant ability to reduce gossypol levels, with R162H and R162K showing 33.4% and 24.2% reduced catalytic efficiency compared with the wild-type enzyme, respectively. Q129H and Q129N mutants maintained comparable catalytic efficiency to the wild type. Metabolomic profiling revealed two distinct reducing pathways catalyzed by wild-type P450BM3 and its mutants (R162H/Q129H), involving decarboxylation, hydroxylation, and C-C bond cleavage. This study demonstrated the feasibility of P450BM3 as a highly efficient biocatalyst for reducing gossypol levels, speculated that Arg162 might be a critical active residue, and hypothesized the potential pathways by which P450BM3 catalyzes the reduction of gossypol content, thereby providing a theoretical foundation for the enzymatic reduction of gossypol.https://www.mdpi.com/2072-6651/17/5/253cytochrome P450BM3heterologous overexpressiongossypolreduction pathways
spellingShingle Wenpeng Fan
Jingjing Cui
Tongxiang Xu
Shiheng Xu
Zulibina Ainiwaer
Qiyu Luo
Caidie Wang
Heterologous Overexpression of Cytochrome P450BM3 from <i>Bacillus megaterium</i> and Its Role in Gossypol Reduction
Toxins
cytochrome P450BM3
heterologous overexpression
gossypol
reduction pathways
title Heterologous Overexpression of Cytochrome P450BM3 from <i>Bacillus megaterium</i> and Its Role in Gossypol Reduction
title_full Heterologous Overexpression of Cytochrome P450BM3 from <i>Bacillus megaterium</i> and Its Role in Gossypol Reduction
title_fullStr Heterologous Overexpression of Cytochrome P450BM3 from <i>Bacillus megaterium</i> and Its Role in Gossypol Reduction
title_full_unstemmed Heterologous Overexpression of Cytochrome P450BM3 from <i>Bacillus megaterium</i> and Its Role in Gossypol Reduction
title_short Heterologous Overexpression of Cytochrome P450BM3 from <i>Bacillus megaterium</i> and Its Role in Gossypol Reduction
title_sort heterologous overexpression of cytochrome p450bm3 from i bacillus megaterium i and its role in gossypol reduction
topic cytochrome P450BM3
heterologous overexpression
gossypol
reduction pathways
url https://www.mdpi.com/2072-6651/17/5/253
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