# Mechanism of emergency phytoremediation technology based on a 3D-QSAR pharmacological model

## TL;DR

This paper explores how transgenic plants can clean up sudden environmental pollution using a 3D model to understand their pollutant degradation mechanisms.

## Contribution

The study introduces a novel 3D-QSAR pharmacophore model to explain plant resistance and degradation of pollutants.

## Key findings

- A 3D-QSAR model was developed to represent plant resistance and phytodegradation processes.
- Hydrophobic characteristics significantly influence the degradation of PCBs in plants.
- Virtual molecular modification techniques validated the degradation enhancement mechanism.

## Abstract

The ability of transgenic plants to respond to sudden environmental pollution accidents has become viable. Nonetheless, there is a dearth of research regarding the mechanism by which transgenic plants degrade organic pollutants. Hence, this study aimed to elucidate the process of organic pollutant degradation by plants, offering theoretical support for the application of transgenic plant emergency phytoremediation technology.

In this investigation, we developed a 3D-QSAR pharmacophore model to represent the collective impact of plant resistance and phytodegradation. This was achieved by employing integrated effect values following treatment with a sine function approach. Moreover, we have undertaken an inaugural exploration of the coregulatory mechanism involved in plant resistance and pollutant degradation within plants. Additionally, we applied virtual molecular modification techniques for analysis and validation, striving for a more indepth understanding of the molecular-level enhancement mechanism related to the degradation of pollutants within plant organisms.

The mechanism analysis results of the Hypo 1 pharmacophore model were verified, indicating that hydrophobic characteristics affect the resistance and degradation of PCBs in plants, significantly affecting the degradation effect of pollutants in plants.