Novel fungicides based on modification of natural product PCA (Phenazine-1-carboxylic acid)

Overview

This research focuses on developing novel fungicides through the structural optimization of Phenazine-1-carboxylic acid (PCA), a naturally occurring compound with proven fungicidal properties. PCA has a simple chemical structure and excellent antifungal activity, and is already registered in China as an active ingredient against rice sheath blight under the trade name Shenqinmycin. By modifying the carboxyl group of PCA, the research team has produced synthetic analogues that demonstrate 2 to 5 times greater fungicidal activity than the parent compound, offering significant potential for improved crop protection products.

Technical specifications

Core approach:

• Structure-activity relationship (SAR) optimization of the PCA carboxyl group to enhance fungicidal performance
• Design of four types containing thirteen series of PCA analogues based on prior exploratory research
• Organic synthesis of target compounds followed by systematic fungicidal activity evaluation
• Investigation of the mechanism of action for the most promising candidates
• Development of a quantitative structure-activity relationship (QSAR) predictive model to guide further molecular optimization
• Application of the QSAR model to efficiently identify new candidate compounds with higher pesticide activity

Key advantages:

• Builds on a naturally derived lead compound with established agricultural use
• Synthetic analogues show substantially improved potency compared to the existing commercial product
• QSAR-driven design enables rational, efficient discovery of higher-activity candidates
• Provides a theoretical foundation for molecular optimization design of PCA-derived fungicides

Technology readiness level

The research is at an early-to-mid stage of development. Exploratory work on PCA carboxyl group modification has already yielded synthetic compounds with 2 to 5 times the fungicidal activity of PCA. The next phase involves synthesizing and evaluating thirteen series of analogues across four compound types, studying their mechanisms of action, and building a QSAR model to predict and discover improved candidates. Further validation, formulation development, and field trials would be needed before commercial readiness.