Licochalcone A

In this study, we suggest an eccentricity-based linear regression model to predict the effectiveness of anti-Alzheimer’s drugs such as Tacrine, Donepezil, Rivastigmine, Butein, Licochalcone-A and Flavokawain-A. The relationship between structural characteristics and therapeutic effectiveness by integrating eccentricity values is derived from these drugs. Our findings provide promising insights into the potential use of eccentricity-driven linear regression as a drug discovery tool in the field of Alzheimer’s disease treatment. This method provides an improved comprehension of the structural factors influencing drug efficacy, establishing the way for more targeted and efficient anti-Alzheimer’s drug development. Moreover, a quantitative structure–property relationship model is developed by using linear regression model to predict properties such as boiling point, flash point, molar volume, molecular weight, complexity and polarizability.

Uncontrolled breeding and improper management of pet cats and dogs have led to the spread of zoonotic Microsporum canis (M. canis) infection, which poses challenges to clinical medication. Therefore, there is an urgent need to explore and discover potential fungicides against M. canis. In this study, licochalcone A (LicoA) was prepared by a green and efficient deep eutectic solvent method based on ultrasonic assisted extraction (DES-UAE). The DES-UAE process with choline chloride and propionic acid as solvent was optimized by response surface method with the extraction amount of LicoA as the objective. Following separation and purification, the purity of LicoA reached 99.79 %. Additionally, LicoA demonstrated significant antifungal activity against M. canis with MIC of 4 μg/mL. LicoA inhibited the synthesis of ergosterol in the fungal membrane, destroy the integrity of the cell membrane, lead to the increase of membrane permeability, the release of intracellular electrolytes, the leakage of nucleic acids and proteins, and affect the normal growth of hyphae. ATPase activity was reduced, and mitochondrial membrane potential (MMP) was reduced, resulting in increased levels of ROS, which eventually induced apoptosis in M. canis. Further transcriptome analysis revealed that LicoA treatment affected "cell integrity", "energy metabolism", and "oxidative stress" metabolic pathways in M. canis, including cell wall synthesis, ergosterol synthesis, tricarboxylic acid cycle, electron transport chain, and ribosome metabolism, leading to fungal cell apoptosis. These studies establish an efficient method for LicoA extraction and provide a basis for its use as a novel antifungal agent for the treatment of dermatophytosis.