虚拟筛选在化妆品功效原料发现中的应用进展

祝钧; 吉冲; 邱静; 何一凡

doi:10.12187/2023.01.014

February 2023

Article Contents

ZHU Jun, JI Chong, QIU Jing and et al. Application progress of virtual screening for the discovery of cosmetic efficacy ingredients[J]. Journal of Light Industry, 2023, 38(1): 119-126. doi: 10.12187/2023.01.014

Citation: ZHU Jun, JI Chong, QIU Jing and et al. Application progress of virtual screening for the discovery of cosmetic efficacy ingredients[J]. Journal of Light Industry, 2023, 38(1): 119-126. doi: 10.12187/2023.01.014 shu

Application progress of virtual screening for the discovery of cosmetic efficacy ingredients

ZHU Jun ^1,2 ,
JI Chong ¹ ,
QIU Jing ¹ ,
HE Yifan ^1,2

1. College of Chemistry and Materials Engineering, Beijing Technology and Business University, Beijing 100048;
2. The Institute of Cosmetic Regulatory Science, Beijing Technology and Business University, Beijing 100048

Received Date: 2022-07-03

Abstract

Based on the application prospects of virtual screening for the discovery of cosmetic efficacy ingredients, the primary methods of virtual screening were reviewed, the development trends of virtual screening in recent years and its application cases in cosmetic efficacy ingredients were overviewed. It was concluded that virtual screening had ligand-based and receptor-based methods. The hybrid method combining diverse virtual screening was becoming increasingly used in bioactive compounds discovery, and it had achieved initial success in the functional ingredients, such as whitening, anti-acne, anti-aging, etc. However, virtual screening was still in the stage of continuous development and improvement, some lead compounds found by virtual screening had low transdermal absorption rate, and the external application characteristics of efficacy ingredients were not considered. In the future, the skin permeability and safety risk assessment of cosmetic efficacy ingredients should be incorporated into the principles of virtual screening, and the virtual screening methods should be selected reasonably, in order to promote the practical application of virtual screening in the development of cosmetics efficacy ingredients.
- virtual screening,
- cosmetic,
- efficacy ingredient,
- pharmacophore
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Application progress of virtual screening for the discovery of cosmetic efficacy ingredients

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