The high frequency of contamination by herbicides suggests the need for more active and selective herbicides. Glyphosate is the active component of one of the top-selling herbicides, which is also a potent EPSP synthase inhibitor. That is a key enzyme in the shikimic acid pathway, which is found only in plants and some microorganisms. Thus, EPSP synthase is regarded as a prime target for herbicides. In this line, molecular modeling studies using molecular dynamics simulations and DFT techniques were performed to understand the interaction of glyphosate and its analogs with the wild type enzyme and Gly96Ala mutant EPSP synthase. In addition, we investigated the reaction mechanism of the natural substrate. Our findings indicate some key points to the design of new selective glyphosate derivates.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1080/07391102.2009.10507309 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Computational Study on the Reaction Mechanism of 5-Enolpyruvylshikimate-3-phosphate Synthase from Nicotiana Tabacum.
ChemistryOpen
January 2025
Key Laboratory of Engineering Biology for Low-Carbon Manufacturing, Tianjin Institute of Industrial Biotechnology, Chinese Academy of Sciences, Tianjin, 300308, China.
5-Enolpyruvylshikimate-3-phosphate synthase (EPSPS) catalyzes the conversion of 5-enolpyruvate (PEP) and shikimic acid phosphate (S3P) to 5-enolpyruvylshikimic acid-3-phosphate (EPSP), releasing inorganic phosphate. This reaction is the sixth step of the shikimate pathway, which is a metabolic pathway used by microorganisms and plants for the biosynthesis of aromatic amino acids and folates but not in mammals. In the present study, the detailed reaction mechanism of EPSPS from Nicotiana tabacum (NtEPSPS) is revealed by quantum chemical calculations with the cluster approach.
View Article and Find Full Text PDFUnraveling the mechanisms of multiple resistance across glyphosate and glufosinate in Eleusine indica.
Pestic Biochem Physiol
December 2024
State Key Laboratory for Biology of Plant Diseases and Insect Pests, Institute of Plant Protection, Chinese Academy of Agricultural Sciences, Beijing 100193, China. Electronic address:
The herbicides glyphosate and glufosinate are commonly used in citrus and sugarcane orchards in Guangxi Province, China, wherein the C plant Eleusine indica (L.) Gaertn. is known to be a dominant weed species.
View Article and Find Full Text PDFCytogenetic characterization of EPSPS gene amplification in glyphosate-resistant Hordeum glaucum and Bromus diandrus from Australia.
Plant J
December 2024
Department of Agronomy, Kansas State University, Manhattan, Kansas, USA.
Article Synopsis
- Two polyploid grass weeds in Australia, Hordeum glaucum and Bromus diandrus, have developed resistance to glyphosate through the amplification of the EPSPS gene, which is crucial for their survival.
- Research involved analyzing the EPSPS gene's genomic structure using molecular cytogenetic methods, showing that resistant plants have significantly more copies of the gene compared to susceptible ones.
- The findings suggest that unequal crossover during meiosis may be responsible for the gene duplication, contributing to the evolution of glyphosate resistance in these weed species.
MurA-catalyzed synthesis of 5-enolpyruvylshikimate-3-phosphate confers glyphosate tolerance in bryophytes.
Proc Natl Acad Sci U S A
November 2024
Gregor Mendel Institute, Vienna BioCenter, Vienna 1030, Austria.
Glyphosate is a broad-spectrum herbicide that kills most vascular plant weeds but is ineffective against many bryophytes. Glyphosate competitively inhibits the enolpyruvyl transferase enzyme 5-enolpyruvylshikimate-3-phosphate synthase (EPSPS). EPSPS catalyzes the production of 5-enolpyruvylshikimate-3-phosphate (EPSP)-an intermediate in the shikimate pathway-from shikimate-3-phosphate (S3P) and phosphoenolpyruvate (PEP) substrates.
View Article and Find Full Text PDFEPSPS gene amplification in a glyphosate-resistant population of Italian ryegrass (Lolium multiflorum) from Oregon.
Pest Manag Sci
February 2025
Forage Seed and Cereal Research Unit, United States Department of Agriculture, Corvallis, OR, USA.
Article Synopsis
- - Lolium multiflorum (Italian ryegrass) is found in Oregon as both a weed and a crop, and herbicide-resistant populations have developed due to chemical management practices.
- - A glyphosate-resistant population identified in Yamhill County shows a nine-fold increase in resistance to glyphosate compared to a susceptible group, with no known amino acid mutations linked to resistance.
- - The resistance is linked to a significant increase (30-fold) in copies of the EPSPS gene, marking the first instance of this type of genetic amplification in glyphosate-resistant L. multiflorum in Oregon.
Want AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!