دورية أكاديمية
Discovery of Novel
العنوان: | Discovery of Novel |
---|---|
المؤلفون: | Zhang, Wei, Zhang, Jiahui, Yan, Chaohui, Gan, Xiuhai |
المصدر: | J Agric Food Chem ; ISSN:1520-5118 ; Volume:72 ; Issue:23 |
بيانات النشر: | American Chemical Society |
سنة النشر: | 2024 |
المجموعة: | PubMed Central (PMC) |
مصطلحات موضوعية: | PPO inhibitor, herbicidal activity, protoporphyrinogen oxidase, scaffold hopping, triazinone |
الوصف: | Protoporphyrinogen IX oxidase (PPO, EC 1.3.3.4) is one of the most important targets for the discovery of green herbicides. In order to find novel PPO inhibitors with a higher herbicidal activity, a series of novel N-phenyltriazinone derivatives containing oxime ether and oxime ester groups were designed and synthesized based on the strategy of pharmacophore and scaffold hopping. Bioassay results revealed that some compounds showed herbicidal activities; especially, compound B16 exhibited broad-spectrum and excellent 100% herbicidal effects to Echinochloa crusgalli, Digitaria sanguinalis, Setaria faberii, Abutilon juncea, Amaranthus retroflexus, and Portulaca oleracea at a concentration of 37.5 g a.i./ha, which were comparable to trifludimoxazin. Nicotiana tabacum PPO (NtPPO) enzyme inhibitory assay indicated that B16 showed an excellent enzyme inhibitory activity with a value of 32.14 nM, which was similar to that of trifludimoxazin (31.33 nM). Meanwhile, compound B16 revealed more safety for crops (rice, maize, wheat, peanut, soybean, and cotton) than trifludimoxazin at a dose of 150 g a.i./ha. Moreover, molecular docking and molecular dynamics simulation further showed that B16 has a very strong and stable binding to NtPPO. It indicated that B16 can be used as a potential PPO inhibitor and herbicide candidate for application in the field. |
نوع الوثيقة: | article in journal/newspaper |
اللغة: | English |
العلاقة: | https://doi.org/10.1021/acs.jafc.4c00272Test; https://pubmed.ncbi.nlm.nih.gov/38809794Test |
DOI: | 10.1021/acs.jafc.4c00272 |
الإتاحة: | https://doi.org/10.1021/acs.jafc.4c00272Test https://pubmed.ncbi.nlm.nih.gov/38809794Test |
رقم الانضمام: | edsbas.BECA80B2 |
قاعدة البيانات: | BASE |
ResultId |
1 |
---|---|
Header |
edsbas BASE edsbas.BECA80B2 952 3 Academic Journal academicJournal 952.14892578125 |
PLink |
https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&scope=site&db=edsbas&AN=edsbas.BECA80B2&custid=s6537998&authtype=sso |
FullText |
Array
(
[Availability] => 0
)
Array ( [0] => Array ( [Url] => https://doi.org/10.1021/acs.jafc.4c00272# [Name] => EDS - BASE [Category] => fullText [Text] => View record in BASE [MouseOverText] => View record in BASE ) ) |
Items |
Array
(
[Name] => Title
[Label] => Title
[Group] => Ti
[Data] => Discovery of Novel
)
Array ( [Name] => Author [Label] => Authors [Group] => Au [Data] => <searchLink fieldCode="AR" term="%22Zhang%2C+Wei%22">Zhang, Wei</searchLink><br /><searchLink fieldCode="AR" term="%22Zhang%2C+Jiahui%22">Zhang, Jiahui</searchLink><br /><searchLink fieldCode="AR" term="%22Yan%2C+Chaohui%22">Yan, Chaohui</searchLink><br /><searchLink fieldCode="AR" term="%22Gan%2C+Xiuhai%22">Gan, Xiuhai</searchLink> ) Array ( [Name] => TitleSource [Label] => Source [Group] => Src [Data] => J Agric Food Chem ; ISSN:1520-5118 ; Volume:72 ; Issue:23 ) Array ( [Name] => Publisher [Label] => Publisher Information [Group] => PubInfo [Data] => American Chemical Society ) Array ( [Name] => DatePubCY [Label] => Publication Year [Group] => Date [Data] => 2024 ) Array ( [Name] => Subset [Label] => Collection [Group] => HoldingsInfo [Data] => PubMed Central (PMC) ) Array ( [Name] => Subject [Label] => Subject Terms [Group] => Su [Data] => <searchLink fieldCode="DE" term="%22PPO+inhibitor%22">PPO inhibitor</searchLink><br /><searchLink fieldCode="DE" term="%22herbicidal+activity%22">herbicidal activity</searchLink><br /><searchLink fieldCode="DE" term="%22protoporphyrinogen+oxidase%22">protoporphyrinogen oxidase</searchLink><br /><searchLink fieldCode="DE" term="%22scaffold+hopping%22">scaffold hopping</searchLink><br /><searchLink fieldCode="DE" term="%22triazinone%22">triazinone</searchLink> ) Array ( [Name] => Abstract [Label] => Description [Group] => Ab [Data] => Protoporphyrinogen IX oxidase (PPO, EC 1.3.3.4) is one of the most important targets for the discovery of green herbicides. In order to find novel PPO inhibitors with a higher herbicidal activity, a series of novel N-phenyltriazinone derivatives containing oxime ether and oxime ester groups were designed and synthesized based on the strategy of pharmacophore and scaffold hopping. Bioassay results revealed that some compounds showed herbicidal activities; especially, compound B16 exhibited broad-spectrum and excellent 100% herbicidal effects to Echinochloa crusgalli, Digitaria sanguinalis, Setaria faberii, Abutilon juncea, Amaranthus retroflexus, and Portulaca oleracea at a concentration of 37.5 g a.i./ha, which were comparable to trifludimoxazin. Nicotiana tabacum PPO (NtPPO) enzyme inhibitory assay indicated that B16 showed an excellent enzyme inhibitory activity with a value of 32.14 nM, which was similar to that of trifludimoxazin (31.33 nM). Meanwhile, compound B16 revealed more safety for crops (rice, maize, wheat, peanut, soybean, and cotton) than trifludimoxazin at a dose of 150 g a.i./ha. Moreover, molecular docking and molecular dynamics simulation further showed that B16 has a very strong and stable binding to NtPPO. It indicated that B16 can be used as a potential PPO inhibitor and herbicide candidate for application in the field. ) Array ( [Name] => TypeDocument [Label] => Document Type [Group] => TypDoc [Data] => article in journal/newspaper ) Array ( [Name] => Language [Label] => Language [Group] => Lang [Data] => English ) Array ( [Name] => NoteTitleSource [Label] => Relation [Group] => SrcInfo [Data] => https://doi.org/10.1021/acs.jafc.4c00272; https://pubmed.ncbi.nlm.nih.gov/38809794 ) Array ( [Name] => DOI [Label] => DOI [Group] => ID [Data] => 10.1021/acs.jafc.4c00272 ) Array ( [Name] => URL [Label] => Availability [Group] => URL [Data] => https://doi.org/10.1021/acs.jafc.4c00272<br />https://pubmed.ncbi.nlm.nih.gov/38809794 ) Array ( [Name] => AN [Label] => Accession Number [Group] => ID [Data] => edsbas.BECA80B2 ) |
RecordInfo |
Array
(
[BibEntity] => Array
(
[Identifiers] => Array
(
[0] => Array
(
[Type] => doi
[Value] => 10.1021/acs.jafc.4c00272
)
)
[Languages] => Array
(
[0] => Array
(
[Text] => English
)
)
[Subjects] => Array
(
[0] => Array
(
[SubjectFull] => PPO inhibitor
[Type] => general
)
[1] => Array
(
[SubjectFull] => herbicidal activity
[Type] => general
)
[2] => Array
(
[SubjectFull] => protoporphyrinogen oxidase
[Type] => general
)
[3] => Array
(
[SubjectFull] => scaffold hopping
[Type] => general
)
[4] => Array
(
[SubjectFull] => triazinone
[Type] => general
)
)
[Titles] => Array
(
[0] => Array
(
[TitleFull] => Discovery of Novel
[Type] => main
)
)
)
[BibRelationships] => Array
(
[HasContributorRelationships] => Array
(
[0] => Array
(
[PersonEntity] => Array
(
[Name] => Array
(
[NameFull] => Zhang, Wei
)
)
)
[1] => Array
(
[PersonEntity] => Array
(
[Name] => Array
(
[NameFull] => Zhang, Jiahui
)
)
)
[2] => Array
(
[PersonEntity] => Array
(
[Name] => Array
(
[NameFull] => Yan, Chaohui
)
)
)
[3] => Array
(
[PersonEntity] => Array
(
[Name] => Array
(
[NameFull] => Gan, Xiuhai
)
)
)
)
[IsPartOfRelationships] => Array
(
[0] => Array
(
[BibEntity] => Array
(
[Dates] => Array
(
[0] => Array
(
[D] => 01
[M] => 01
[Type] => published
[Y] => 2024
)
)
[Identifiers] => Array
(
[0] => Array
(
[Type] => issn-locals
[Value] => edsbas
)
)
[Titles] => Array
(
[0] => Array
(
[TitleFull] => J Agric Food Chem
[Type] => main
)
)
)
)
)
)
)
|
IllustrationInfo |