Research on Material Basis of Homologous and Heterogeneous Effect of Aurantii Fructus Immaturus and Aurantii Fructus Based on Total Statistical Moment Analysis and Molecular Connectivity Index
10.13422/j.cnki.syfjx.20221446
- VernacularTitle:基于总量统计矩分析法与分子连接性指数探讨枳实、枳壳“同源异效”的物质基础
- Author:
Xiao YUAN
1
;
Yuefeng WU
1
;
Shixiong LI
1
;
Youzhi LIU
1
;
Zhiqin YU
1
;
Fuyuan HE
1
;
Jin ZHOU
1
Author Information
1. School of Pharmacy，Hunan Key Laboratory of Druggability and Preparation Modification of Traditional Chinese Medicine，Laboratory of Supramolecular Mechanism and Mathematic-physics Characterization for Chinese Materia Medica，Hunan University of Chinese Medicine，Changsha 410208，China
- Publication Type:Journal Article
- Keywords:
Aurantii Fructus Immaturus;
Aurantii Fructus;
homologous and heterogeneous effect;
molecular connectivity index（MCI）;
total statistical moment;
fingerprint;
ultra-high performance liquid chromatography（UPLC）;
material basis
- From:
Chinese Journal of Experimental Traditional Medical Formulae
2024;30(3):161-168
- CountryChina
- Language:Chinese
-
Abstract:
ObjectiveTo investigate the material basis of homologous and heterogeneous effect of Aurantii Fructus Immaturus（AFI） and Aurantii Fructus（AF） based on the total statistical moment analysis and molecular connectivity index（MCI）. MethodRelevant literature at home and abroad and Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform（TCMSP） were consulted to establish the chemical composition database of AFI and AF， and set up their fingerprints by ultra-high performance liquid chromatography（UPLC）， and the total statistical moments and similarity parameters of the fingerprint were calculated. According to MCI， all components of AFI and AF were divided into different component groups， the average values of 0-8th order（0χ-8χ） MCI of the common component groups of AFI and AF were calculated. ResultThe values of total zero-order moment（AUCT） of AFI and AF were （10.57±2.45）×106， （5.09±0.89）×106 μV·s， the values of total first-order moment（MCRTT） were （11.57±1.58）， （12.10±1.29） min， the values of total second-order moments（VCRTT） were（24.49±2.30）， （26.49±2.54） min2， respectively. It showed that qualitative and quantitative parameters of AFI and AF were significantly different. The components with high similarity such as neohesperidin， hesperidin and narirutin were screened as the common potential pharmacodynamic components of AFI and AF. The non-common components of AFI， such as alysifolinone and imperatorin， and the non-common components of AF， such as neoeriocitrin and isosakuranin， with high similarity were screened out as potential heterogeneous components of AFI and AF. The composition groups of AFI and AF were classified into six categories， and the similarities between the composition groups of AFI and AF and the total constituents were 0.872-0.979 and 0.918-0.997， the average values of 0χ-8χ MCI of alkaloids in AFI and AF were 3.65 and 3.14， the average values of 0χ-8χ MCI of flavonoids were 8.47 and 8.47， the average values of 0χ-8χ MCI of volatile oils were 2.71 and 3.48， respectively. It showed that there were some differences in MCI of chemical constituents（groups） between AFI and AF. ConclusionThe chemical constituents（groups） of AFI and AF not only differ in content and species， but also in structural characteristics and structure-activity relationship， which can provide a basis for further explaining the scientific connotation of homologous and heterogeneous effect of AFI and AF.
