Characteristic Analysis and Similarity Calculation of Molecular Compounds of Traditional Chinese Medicine

The text similarity calculation plays a crucial role as the core work of artificial intelligence commercial applications such as traditional Chinese medicine (TCM) auxiliary diagnosis, intelligent question and answer, and prescription recommendation. However, TCM texts have problems such as short sentence expression, inaccurate word segmentation, strong semantic relevance, high feature dimension, and sparseness. This study comprehensively considers the temporal information of sentence context and proposes a TCM text similarity calculation model based on the bidirectional temporal Siamese network (BTSN). We used the enhanced representation through knowledge integration (ERNIE) pretrained language model to train character vectors instead of word vectors and solved the problem of inaccurate word segmentation in TCM. In the Siamese network, the traditional fully connected neural network was replaced by a deep bidirectional long short-term memory (BLSTM) to capture the contextual semantics of the current word information. The improved similarity BLSTM was used to map the sentence that is to be tested into two sets of low-dimensional numerical vectors. Then, we performed similarity calculation training. Experiments on the two datasets of financial and TCM show that the performance of the BTSN model in this study was better than that of other similarity calculation models. When the number of layers of the BLSTM reached 6 layers, the accuracy of the model was the highest. This verifies that the text similarity calculation model proposed in this study has high engineering value.

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Screening of 5′-Methylthioadenosine Nucleosidase Enzyme Inhibitors from Traditional Chinese Medicine and Small Molecular Compounds by Capillary Electrophoresis After Enzymatic Reaction at Capillary Inlet

Chromatographia ◽

10.1007/s10337-020-03873-4 ◽

2020 ◽

Vol 83 (4) ◽

pp. 541-548

Author(s):

Kaili Yu ◽

Mei-E Yue ◽

Jie Xu ◽

Ting-Fu Jiang

Keyword(s):

Capillary Electrophoresis ◽

Chinese Medicine ◽

Traditional Chinese Medicine ◽

Enzyme Inhibitors ◽

Enzymatic Reaction ◽

Capillary Inlet ◽

Molecular Compounds

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In SilicoInvestigation of Cytochrome P450 2C9 in relation to Aging Using Traditional Chinese Medicine

Evidence-based Complementary and Alternative Medicine ◽

10.1155/2014/404505 ◽

2014 ◽

Vol 2014 ◽

pp. 1-14

Author(s):

Tzu-Chieh Hung ◽

Chia-Chen Kuo ◽

Calvin Yu-Chian Chen

Keyword(s):

Cytochrome P450 ◽

Chinese Medicine ◽

Traditional Chinese Medicine ◽

Weak Interactions ◽

The Elderly ◽

Dehydroepiandrosterone Sulfate ◽

Cytochrome P450 2C9 ◽

Control Drug ◽

Optimal Health ◽

Molecular Compounds

Cytochrome P450 2C9 (CYP2C9) metabolizes dehydroepiandrosterone-sulfate (DHEA-S), but in elderly people the amount of DHEA-S remaining after CYP2C9 metabolization may be insufficient for optimal health. A prediction model, molecular docking, and molecular dynamics were used to screen the Traditional Chinese Medicine (TCM) database to determine molecular compounds that may inhibit CYP2C9. The candidate compounds apocynoside(I), 4-methoxymagndialdehyde, and prunasin have higher Dock Scores, and prediction bioactivity than warfarin (the control drug). The interaction between 4-methoxymagndialdehyde and CYP2C9 is more intense than with other TCM compounds, but the simulation is longer. In these compounds, apocynoside(I) and prunasin have a greater number of pathways for their flexible structure, but these structures create weak interactions. These candidate compounds, which are known to have antioxidation and hypolipidemic functions that have an indirect effect on the aging process, can be extracted from traditional Chinese medicines. Thus, these candidate compounds may become CYP2C9 inhibitors and play an important role in providing optimal health in the elderly.

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