Combinatorial Targeting of Common Docking and ATP Binding Sites on Mps1 MAPK for Management of Pathogenic Fungi DOI
Zhiwei Kong,

Saijie Li,

Jianbin Li

et al.

Journal of Agricultural and Food Chemistry, Journal Year: 2024, Volume and Issue: unknown

Published: Dec. 2, 2024

Resistance in pathogenic fungi necessitates the development of fungicides with new mechanisms action. The Mps1 MAPK Magnaporthe oryzae, pathogen rice blast disease, has been shown to be a molecular target for fungicide research. Here, we present compound TAK-733 that interacts common docking (CD) site and can used combination ATP-competitive inhibitors. We initially identified compounds PLX-4720 interact Mps1. Subsequent assays show is an inhibitor, whereas binds CD Mps1─an interaction its MAPKK─but not ATP-binding pocket as it does kinase MEK1. In vivo demonstrated exhibits combinational effects inhibitors A378–0. Collectively, having mechanism action suitable application management fungi.

Language: Английский

Melatonin—Angel of Plant Growth Regulation and Protection DOI Creative Commons

Huanyu Cai,

Jie Li, Jun Li

et al.

Advanced Agrochem, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

Language: Английский

Citations

3
Green guardians: The biocontrol potential of Pseudomonas-derived metabolites for sustainable agriculture DOI Creative Commons
Ruihuan Yang, Xiuning Du,

Moein Khojasteh

et al.

Biological Control, Journal Year: 2025, Volume and Issue: 201, P. 105699 - 105699

Published: Jan. 9, 2025

Language: Английский

Citations

0
Design, Synthesis, and Antifungal Activity of Melatonin Derivatives Containing a (Thio)Semicarbazide Group DOI
Jing‐Rui Liu,

Enyu Jiang,

Chun‐Bao Duan

et al.

Journal of Pineal Research, Journal Year: 2025, Volume and Issue: 77(2)

Published: Feb. 25, 2025

ABSTRACT Melatonin is a natural hormone that has functions such as circadian rhythm regulation, neuroregulation and cardiac protection, well antifungal activity. In this study, two series of melatonin derivatives containing semicarbazide or thiosemicarbazide group were designed synthesized. The screening results indicated compound III‐9 exhibited broad spectrum against six phytopathogenic fungi at 50 µg/mL, with over 60% growth inhibition, highlighted by its inhibition rates 80.8% 87.2% Botrytis cinerea Rhioctorzia solani , respectively, which was superior to the commercial fungicide Osthole. It also showed moderate activity in vivo Cucumber botrytis Sclerotinia sclerotiorum Phytophthora capsica 200 µg/mL. And scanning electron microscope (SEM), molecular docking, enzymatic provided insights into potential mechanisms underlying these derivatives, might target succinate dehydrogenase (SDH). Study structure–activity relationships (SAR) pesticide‐likeness prediction offered valuable guidance for future structural optimization derivatives.

Language: Английский

Citations

0
Polyprenylated Xanthones Isolated from Garcinia Resins and Their Beneficial Effects on Rice Blast Disease DOI

Ke-Ming Li,

Shumin Zheng,

Xian Dong

et al.

Journal of Agricultural and Food Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 22, 2025

Five undescribed polyprenylated xanthones (1, 3, 4, 22, and 23) 27 known compounds were isolated from Garcinia resins, the antifungal activities of 15 them investigated. Compound 7 exhibited notable in vitro effects against Magnaporthe grisea with an IC50 value 3.54 μg/mL, superior to isoprothiolane (10.30 μg/mL), showed excellent protective efficiency 78.4% at 200 μg/mL RB (rice blast), equivalent (87.2%). Its activity may be related destruction cell membrane effect absorption utilization sugar by mycelium, which was proven transcriptome sequencing preliminary mechanism, showing a good application prospect for replacing agrochemical fungicides control disease.

Language: Английский

Citations

0
Identification of a COMT Gene Involved in the Biosynthesis of Melatonin Which Mediates Resistance to Citrus Canker DOI
Kun Yang, Wenqing Xu,

Huanyu Cai

et al.

Journal of Pineal Research, Journal Year: 2025, Volume and Issue: 77(3)

Published: April 1, 2025

Citrus canker, caused by Xanthomonas citri subsp (Xcc), represents a severe threat to the citrus industry. The conventional control measures for canker primarily rely on chemical bactericide. However, overuse of bactericide will cause environmental and food security concerns. To address this problem, efforts are being made develop environmentally friendly bio-bactericide alternatives. In study, we identified caffeic acid O-methyltransferase gene, AbCOMT1, from Atalantia buxifolia, Citrus-related species exhibiting high resistance canker. AbCOMT1 encodes key enzyme involved in melatonin biosynthesis, its overexpression sweet orange significantly enhances We found elevated levels overexpressing lines demonstrated that not only directly inhibited Xcc proliferation but also activated immune responses. further improve inhibitory efficacy melatonin, tested several derivatives, achieving tenfold increase activity. Notably, derivative MT-3 exhibited outstanding controlling under field conditions. Our results revealed as promising gene highly efficient derivatives disease control.

Language: Английский

Citations

0
Mps1–Targeted Molecular Design of Melatonin for Broad-Spectrum Antifungal Agent Discovery DOI

Huanyu Cai,

Jie Li, Ran Lu

et al.

Journal of Agricultural and Food Chemistry, Journal Year: 2024, Volume and Issue: unknown

Published: Oct. 6, 2024

Melatonin, a multifunctional class of natural products, has demonstrated antifungal activity, making it promising candidate for developing agents. The mitogen-activated protein kinase (Mps1) within fungal pathogens target inhibitory effect melatonin in fungi. We use virtual screening strategy to design derivatives based on the melatonin-Mps1 targeting model. Of these, multiflorane-substitution compound M-12 emerges as potent agent, exhibiting broad-spectrum efficacy against eight phytopathogenic species, and effectively reduces severity tomato gray mold, Fusarium head blight wheat, Sclerotinia stem rot rape, peach brown rot. half-maximal effective concentration values (5.50 μM Botrytis cinerea, 5.21 graminearum, 10.6 Rhizoctonia solani, 9.02 sclerotiorum) are better than those commercial fungicide azoxystrobin (55.0, 23.2, 46.5, 17.7 μM, respectively). Antifungal activity enantiomer (S)-M-12 (5.02 μM) is significantly greater its (R)-enantiomer (23.6 B. cinerea. Molecular docking transcriptome analysis reveal that achieves effects by inhibiting Mps1 kinase, thereby suppressing growth virulence.

Language: Английский

Citations

2
Combinatorial Targeting of Common Docking and ATP Binding Sites on Mps1 MAPK for Management of Pathogenic Fungi DOI
Zhiwei Kong,

Saijie Li,

Jianbin Li

et al.

Journal of Agricultural and Food Chemistry, Journal Year: 2024, Volume and Issue: unknown

Published: Dec. 2, 2024

Resistance in pathogenic fungi necessitates the development of fungicides with new mechanisms action. The Mps1 MAPK Magnaporthe oryzae, pathogen rice blast disease, has been shown to be a molecular target for fungicide research. Here, we present compound TAK-733 that interacts common docking (CD) site and can used combination ATP-competitive inhibitors. We initially identified compounds PLX-4720 interact Mps1. Subsequent assays show is an inhibitor, whereas binds CD Mps1─an interaction its MAPKK─but not ATP-binding pocket as it does kinase MEK1. In vivo demonstrated exhibits combinational effects inhibitors A378–0. Collectively, having mechanism action suitable application management fungi.

Language: Английский

Citations

0