Design, Synthesis, and Herbicidal Activity Study of Novel Pyrazole-Carboxamides as Potential Transketolase Inhibitors DOI
Chengkun Li, Junmin Wang, Haijiao Dong

и другие.

Journal of Agricultural and Food Chemistry, Год журнала: 2024, Номер unknown

Опубликована: Дек. 21, 2024

Transketolase (TKL; EC 2.2.1.1) has been identified as a potential new herbicide target. In order to discover highly herbicidal active compounds targeting TKL and improve their structural diversity for lead compounds, series of pyrazole-carboxamides 7a–7v were designed synthesized through optimization pyrazole-containing phenoxy amide compound 4u. Among the 7r possessed excellent efficacy against Digitaria sanguinalis (Ds) Amaranthus retroflexus (Ar) by small cup method (the inhibition about 95%, 100 mg/L) foliar spray over 90%, 150 g ai/ha) in greenhouse, which superior that positive control nicosulfuron. More significantly, displayed good crop selectivity toward both maize wheat even at 375 ai/ha. The studies on mode action (MOA) high including enzyme activity, fluorescent quenching experiments, molecular docking analysis between Setaria viridis (Sv)TKL ligand, suggested acts typical inhibitor, benzothiazole ring is an important motif SvTKL activity. Above all, could be candidate development herbicides with MOA weed field.

Язык: Английский

Exploration and computational assessment of ochrocephalamine G from Oxytropis ochrocephala as an anti-HBV candidate DOI
Yakun Zhang, Xue Zhan, Jianbo Tong

и другие.

Journal of Asian Natural Products Research, Год журнала: 2025, Номер unknown, С. 1 - 14

Опубликована: Янв. 10, 2025

Three compounds, including a novel quinolizidine alkaloid, ochrocephalamine G (1), were isolated from Oxytropis ochrocephala. Structural elucidation was achieved through spectroscopic analysis and electronic circular dichroism. Biological assays showed that (100 μM) inhibited HBsAg HBeAg by 8.28% 16.17%, respectively. Computational studies, molecular docking dynamics simulations, revealed its binding mode with HBV core protein, providing solid foundation for developing O. ochrocephala as an anti-HBV therapeutic agent.

Язык: Английский

Процитировано

0
Chemoselective synthesis of tunable poly-functionalized binary pyrazolyl and annulated pyrazolo/pyrido anchored on quinolinone: insecticidal and antioxidant studies DOI Creative Commons

Nedaa N. Elnaggar,

Wafaa S. Hamama,

Mohamed Abd El Salam

и другие.

RSC Advances, Год журнала: 2025, Номер 15(8), С. 6050 - 6067

Опубликована: Янв. 1, 2025

Several fused/binary pyrazole quinolinone hybrids are synthesized via tandem reactions and their insecticidal efficacy against S. littoralis A. gossypii evaluated.

Язык: Английский

Процитировано

0
Design, Synthesis, and Antitumor Evaluation of Sophoridine Derivatives as Topoisomerase I Inhibitors Based on the Topomer CoMFA Model DOI
Yakun Zhang, Jianbo Tong, Hongyan Zhang

и другие.

Journal of Molecular Structure, Год журнала: 2025, Номер 1335, С. 142005 - 142005

Опубликована: Март 9, 2025

Язык: Английский

Процитировано

0
Rational Design and Synthesis of Isoxazoline Derivatives with Low Bee-Toxicity Based on Bee GABA Receptors DOI

Jianrong Yang,

Hong Tu, Bo Tian

и другие.

Journal of Agricultural and Food Chemistry, Год журнала: 2025, Номер unknown

Опубликована: Апрель 13, 2025

The isoxazoline insecticide, such as fluralaner, exhibits strong insecticidal activity against pests while showing no cross-resistance. However, due to its toxicity bees, the use of Fluralaner is restricted in veterinary antiparasitic applications. Hence, how modify structure fluralaner maintain and reduce bees vital meaningful. In this study, a virtual screening 11 diamide substructures was conducted based on GABA receptor (Apis mellifera), four compounds with lower docking scores were regarded potential low bee compounds. Among them, compound Y11 containing thiophene diamine motif used lead compound. Subsequently, A1-A16 B1-B11 synthesized Y11. Interestingly, A13 exhibited LC50 values 1.4 μg/mL diamondback moth (Plutella xylostella), outperforming commercial insecticide ethiprole (LC50 = 2.9 μg/mL). Furthermore, 9.9 fall armyworm (Spodoptera frugiperda), also Fipronil 78.8 Compound B1 12.4 corn borer (Pyrausta nubilalis), which surpassed that (30.8 Although P. xylostella S. frugiperda not potent Fluralaner, only 1/200 Fluralaner. Molecular dynamics studies elucidated interaction mode bee. has serve candidate low-toxicity alternative offering valuable insights for future design insecticide.

Язык: Английский

Процитировано

0
Synthesis and Activity of Novel Pyrazole/Pyrrole Carboxamides Containing a Dinitrogen Six-Membered Heterocyclic as Succinate Dehydrogenase and Ergosterol Biosynthesis Inhibitors against Colletotrichum camelliae DOI

Kuai Chen,

Dandan Song,

D. Shi

и другие.

Journal of Agricultural and Food Chemistry, Год журнала: 2025, Номер unknown

Опубликована: Апрель 23, 2025

Pyrazole carboxamide derivatives were initially extensively studied as succinate dehydrogenase inhibitors (SDHIs). In the present study, a series of pyrazole/pyrrole carboxamides containing dinitrogen six-membered heterocyclic designed based on our reported active skeletons with dual mode action. Bioactivity results showed that target compound Q18 demonstrated superior antifungal efficacy against Colletotrichum camelliae (C. camelliae) an EC50 value 6.0 mg/L. The in vivo protective activity was 74.7% at 100 Scanning electron microscopy and transmission could disrupt surface morphology mycelia cause lipid peroxidation cell membrane, which further verified by determination relative conductivity malondialdehyde contents. Combined ergosterol content, docking between SDH CYP51, IC50 for (9.7 mg/L), it is concluded potential SDHI biosynthesis inhibitor. Thus, study provides fresh insight into amides.

Язык: Английский

Процитировано

0
Design, synthesis and Aphicidal activity of novel Pentafluorophenyl derivatives against Brevicoryne brassicae DOI

Jiting Li,

Hao Feng, Wenxuan Wu

и другие.

Tetrahedron Letters, Год журнала: 2025, Номер unknown, С. 155605 - 155605

Опубликована: Апрель 1, 2025

Язык: Английский

Процитировано

0
Biodegradation of Monocrotophos, Cypermethrin & Fipronil by Proteus myxofaciens VITVJ1: A plant - microbe based remediation DOI Creative Commons
Jeevanandam Vaishnavi,

Jabez William Osborne

Heliyon, Год журнала: 2024, Номер unknown, С. e37384 - e37384

Опубликована: Сен. 1, 2024

Язык: Английский

Процитировано

2
Design, Synthesis, and Herbicidal Activity Study of Novel Pyrazole-Carboxamides as Potential Transketolase Inhibitors DOI
Chengkun Li, Junmin Wang, Haijiao Dong

и другие.

Journal of Agricultural and Food Chemistry, Год журнала: 2024, Номер unknown

Опубликована: Дек. 21, 2024

Transketolase (TKL; EC 2.2.1.1) has been identified as a potential new herbicide target. In order to discover highly herbicidal active compounds targeting TKL and improve their structural diversity for lead compounds, series of pyrazole-carboxamides 7a–7v were designed synthesized through optimization pyrazole-containing phenoxy amide compound 4u. Among the 7r possessed excellent efficacy against Digitaria sanguinalis (Ds) Amaranthus retroflexus (Ar) by small cup method (the inhibition about 95%, 100 mg/L) foliar spray over 90%, 150 g ai/ha) in greenhouse, which superior that positive control nicosulfuron. More significantly, displayed good crop selectivity toward both maize wheat even at 375 ai/ha. The studies on mode action (MOA) high including enzyme activity, fluorescent quenching experiments, molecular docking analysis between Setaria viridis (Sv)TKL ligand, suggested acts typical inhibitor, benzothiazole ring is an important motif SvTKL activity. Above all, could be candidate development herbicides with MOA weed field.

Язык: Английский

Процитировано

1