The natural herbicide rhein targets photosystem I.

The natural anthraquinone rhein has been identified as a novel herbicide with a potentially new mode of action using a generative AI system for functional molecules discovery. Its herbicidal activity was light-dependent and resulted in rapid burndown symptoms on leaves of treated plants. Rhein interferes with photosynthesis by acting as an electron diverter at the level of photosystem I (PSI).

Identification of a Novel 2,4-D Metabolic Detoxification Pathway in 2,4-D-Resistant Waterhemp ().

A 2,4-dichlorophenoxyactic acid (2,4-D)-resistant population of (common waterhemp) from Nebraska, USA, was previously found to have rapid metabolic detoxification of the synthetic auxin herbicide 2,4-D. We purified the main 2,4-D metabolites from resistant and susceptible plants, solved their structures by nuclear magnetic resonance (NMR) and high-resolution mass spectrometry (HRMS), and synthesized the metabolites to determine their toxicity. Susceptible plants conjugated 2,4-D to aspartate to form 2,4-D-aspartic acid (2,4-D-Asp), while resistant plants had a unique metabolic profile where 2,4-D was hydroxylated into 5-OH-2,4-D, followed by conjugation into a sugar metabolite (2,4-D-5--d-glucopyranoside) and subsequent malonylation into 2,4-D-(6'--malonyl)-5--d-glucopyranoside.

Conformation of the Intermediates in the Reaction Catalyzed by Protoporphyrinogen Oxidase: An In Silico Analysis.

Protoporphyrinogen oxidase (PPO) is a critical enzyme across life as the last common step in the synthesis of many metalloporphyrins. The reaction mechanism of PPO was assessed in silico and the unstructured loop near the binding pocket was investigated. The substrate, intermediates, and product were docked in the catalytic domain of PPO using a modified Autodock method, introducing flexibility in the macrocycles.