1.Identification of natural product-based drug combination (NPDC) using artificial intelligence.
Tianle NIU ; Yimiao ZHU ; Minjie MOU ; Tingting FU ; Hao YANG ; Huaicheng SUN ; Yuxuan LIU ; Feng ZHU ; Yang ZHANG ; Yanxing LIU
Chinese Journal of Natural Medicines (English Ed.) 2025;23(11):1377-1390
Natural product-based drug combinations (NPDCs) present distinctive advantages in treating complex diseases. While high-throughput screening (HTS) and conventional computational methods have partially accelerated synergistic drug combination discovery, their applications remain constrained by experimental data fragmentation, high costs, and extensive combinatorial space. Recent developments in artificial intelligence (AI), encompassing traditional machine learning and deep learning algorithms, have been extensively applied in NPDC identification. Through the integration of multi-source heterogeneous data and autonomous feature extraction, prediction accuracy has markedly improved, offering a robust technical approach for novel NPDC discovery. This review comprehensively examines recent advances in AI-driven NPDC prediction, presents relevant data resources and algorithmic frameworks, and evaluates current limitations and future prospects. AI methodologies are anticipated to substantially expedite NPDC discovery and inform experimental validation.
Artificial Intelligence
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Biological Products/chemistry*
;
Humans
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Drug Combinations
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Drug Discovery/methods*
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Machine Learning
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Algorithms
2.The application value of the quantitative parameters of collateral circulation in evaluating the clinical prognosis of patients with acute ischemic stroke
Xian FAN ; Tianle WANG ; Li ZHU ; Xiaolong LI ; Xiwu RUAN ; Han WANG
Journal of Practical Radiology 2024;40(10):1587-1591
Objective To investigate the application value of the quantitative parameters of collateral circulation based on computed tomography perfusion(CTP)in evaluating the clinical prognosis of patients with acute ischemic stroke(AIS).Methods A total of 126 patients with AIS caused by middle cerebral artery occlusion were enrolled,collateral circulation were reconstructed and scored via multiphase computed tomography angiography(mCTA)based on CTP.The hypoperfusion intensity ratio(HIR)and collateral vessel density(CVD)were calculated.All patients were divided into good prognosis group(72 cases)and poor prognosis group(54 cases)based on 90 d modified Rankin scale(mRS)scores.Differences in cardiovascular risk factors,National Institutes of Health Stroke Scale(NIHSS)scores,Albert stroke program early CT(ASPECT)scores,Tmax>10 s volume,Tmax>6 s volume,core infarct area volume,and final infarct volume between the two groups were compared.Binary logistic regression was employed to identify independent predictors of the clinical prognosis,and the DeLong test was used to compare the efficacy of different predictors in predicting clinical prognosis.Results The good prognosis group had significantly higher ASPECT scores,mCTA scores,and CVD,but significantly lower HIR,Tmax>10 s volume,and baseline NIHSS scores compared to the poor prognosis group(P<0.05).Binary logistic regression analysis showed that ASPECT scores[odds ratio(OR)=0.780],mCTA scores(OR=0.669),CVD(OR=0.595),and HIR(OR=28.968)were independent predictors of clinical prognosis(P<0.05).DeLong test found no significant difference in area under the curve(AUC)values between mCTA scores,CVD and HIR in predicting the clinical prognosis of AIS patients(P>0.05).Conclusion Quantitative parameters such as CVD and HIR related to collateral circulation have a strong diagnostic efficacy in predicting the 90 d clinical prognosis in patients with AIS.
3.The Association between the Gut Microbiota and Erectile Dysfunction
Tianle ZHU ; Xi LIU ; Peng YANG ; Yukuai MA ; Pan GAO ; Jingjing GAO ; Hui JIANG ; Xiansheng ZHANG
The World Journal of Men's Health 2024;42(4):772-786
Purpose:
Explore the causal relationship between the gut microbiota and erectile dysfunction (ED) at phylum, class, order, family, and genus levels, and identify specific pathogenic bacteria that may be associated with the onset and progression of ED.
Materials and Methods:
The genetic variation data of 196 human gut microbiota incorporated in our study came from the human gut microbiome Genome Wide Association Studies (GWAS) dataset released by the MiBioGen Consortium. The GWAS statistics for ED were extracted from one study by Bovijn et al., which included 223,805 participants of European ancestry, of whom 6,175 were diagnosed with ED. Subsequently, Mendelian randomization (MR) analysis was carried out to explore whether a causal relationship exists between the gut microbiota and ED. Additionally, bidirectional MR analysis was performed to examine the directionality of the causal relationship.
Results:
Through MR analysis, we found that family Lachnospiraceae (odds ratio [OR]: 1.27, 95% confidence interval [CI]: 1.05–1.52, p=0.01) and its subclass genus LachnospiraceaeNC2004 group (OR: 1.17, 95% CI: 1.01–1.37, p=0.04) are associated with a higher risk of ED. In addition, genus Oscillibacter (OR: 1.17, 95% CI: 1.02–1.35, p=0.03), genus Senegalimassilia (OR: 1.32, 95% CI: 1.06–1.64, p=0.01) and genus Tyzzerella3 (OR: 1.14, 95% CI: 1.02–1.27, p=0.02) also increase the risk of ED. In contrast, the inverse variance weighted estimate of genus RuminococcaceaeUCG013 (OR: 0.77, 95% CI: 0.61–0.96, p=0.02) suggests that it has a protective effect against the occurrence of ED.
Conclusions
This study preliminarily identified 6 bacterial taxa that may have a causal relationship with ED, including family Lachnospiraceae, genus Lachnospiraceae NC2004 group, Oscillibacter, Senegalimassilia, Tyzzerella 3 and Ruminococcaceae UCG013. These identified important bacterial taxa may serve as candidates for microbiome intervention in future ED clinical trials.
4.The Association between the Gut Microbiota and Erectile Dysfunction
Tianle ZHU ; Xi LIU ; Peng YANG ; Yukuai MA ; Pan GAO ; Jingjing GAO ; Hui JIANG ; Xiansheng ZHANG
The World Journal of Men's Health 2024;42(4):772-786
Purpose:
Explore the causal relationship between the gut microbiota and erectile dysfunction (ED) at phylum, class, order, family, and genus levels, and identify specific pathogenic bacteria that may be associated with the onset and progression of ED.
Materials and Methods:
The genetic variation data of 196 human gut microbiota incorporated in our study came from the human gut microbiome Genome Wide Association Studies (GWAS) dataset released by the MiBioGen Consortium. The GWAS statistics for ED were extracted from one study by Bovijn et al., which included 223,805 participants of European ancestry, of whom 6,175 were diagnosed with ED. Subsequently, Mendelian randomization (MR) analysis was carried out to explore whether a causal relationship exists between the gut microbiota and ED. Additionally, bidirectional MR analysis was performed to examine the directionality of the causal relationship.
Results:
Through MR analysis, we found that family Lachnospiraceae (odds ratio [OR]: 1.27, 95% confidence interval [CI]: 1.05–1.52, p=0.01) and its subclass genus LachnospiraceaeNC2004 group (OR: 1.17, 95% CI: 1.01–1.37, p=0.04) are associated with a higher risk of ED. In addition, genus Oscillibacter (OR: 1.17, 95% CI: 1.02–1.35, p=0.03), genus Senegalimassilia (OR: 1.32, 95% CI: 1.06–1.64, p=0.01) and genus Tyzzerella3 (OR: 1.14, 95% CI: 1.02–1.27, p=0.02) also increase the risk of ED. In contrast, the inverse variance weighted estimate of genus RuminococcaceaeUCG013 (OR: 0.77, 95% CI: 0.61–0.96, p=0.02) suggests that it has a protective effect against the occurrence of ED.
Conclusions
This study preliminarily identified 6 bacterial taxa that may have a causal relationship with ED, including family Lachnospiraceae, genus Lachnospiraceae NC2004 group, Oscillibacter, Senegalimassilia, Tyzzerella 3 and Ruminococcaceae UCG013. These identified important bacterial taxa may serve as candidates for microbiome intervention in future ED clinical trials.
5.The value of a combined model of clinical factors and non-contrast CT radiomics in predicting symptomatic hemorrhagic transformation after intravenous thrombolysis in patients with anterior circulation ischemic stroke
Dandan JI ; Tianle WANG ; Li ZHU ; Yu LU ; Xiwu RUAN
Chinese Journal of Radiology 2024;58(10):1021-1027
Objective:To investigate the efficacy of a combined model constructed by the radiomics features based on non-contrast CT (NCCT) combined with clinical risk factors in predicting the occurrence of symptomatic intracranial hemorrhagic transformation (sICH) after intravenous thrombolysis with recombinant tissue plasminogen activator (rt-PA) in patients with anterior circulation acute ischemic stroke (AIS).Methods:In this cross-sectional study, clinical and imaging data of 316 patients with anterior circulation AIS who received intravenous thrombolysis with rt-PA at Nantong First People′s Hospital from October 2018 to September 2022 were retrospectively analyzed. The cases were divided into a training set of 210 cases and a validation set of 106 cases by stratified random sampling at a ratio of 7∶3. Univariate and multivariate logistic regression analyses were performed to select the independent clinical risk factors for predicting sICH. The infarct area was delineated on the NCCT images and radiomics features were extracted. The extracted radiomics features were dimensionally reduced and selected using the inter-and intra-group correlation coefficients, maximum correlation and minimum redundancy, and the least absolute shrinkage and selection operator, and then the radiomics score was calculated. Finally, multivariate logistic analysis was performed and the clinical risk factors and radiomics scores were used to establish the clinical model, the radiomics model and the radiomics-clinical combined model. The predictive efficacy of each model was evaluated by the receiver operating characteristic curve and the area under the curve, and decision curve analysis (DCA) was used to calculate and quantify the net benefits of each predictive model.Results:In total eight radiomics features were selected to construct the radiomics model. Multivariate logistic analysis showed that hypertension ( OR=2.703, 95% CI 1.153-6.334, P=0.022), atrial fibrillation ( OR=3.023, 95% CI 1.290-7.085, P=0.011), and the National Institutes of Health Stroke Scale score at admission ( OR=1.078, 95% CI 1.017-1.143, P=0.012) were independent risk factors for sICH after rt-PA intravenous thrombolysis in patients with anterior circulation AIS. In the validation set, the area under the curve of the combined model for predicting sICH was 0.763 (95% CI 0.618-0.909), which was higher than that of the clinical model 0.710 (95% CI 0.552-0.868) and the radiomics model 0.708 (95% CI 0.568-0.848). DCA showed that the combined model could allow patients to obtain higher net benefits. Conclusion:The combined model constructed based on the radiomics of NCCT and clinical risk factors has a high diagnostic efficacy in predicting sICH after rt-PA intravenous thrombolysis in patients with anterior circulation AIS.
6.The Association between the Gut Microbiota and Erectile Dysfunction
Tianle ZHU ; Xi LIU ; Peng YANG ; Yukuai MA ; Pan GAO ; Jingjing GAO ; Hui JIANG ; Xiansheng ZHANG
The World Journal of Men's Health 2024;42(4):772-786
Purpose:
Explore the causal relationship between the gut microbiota and erectile dysfunction (ED) at phylum, class, order, family, and genus levels, and identify specific pathogenic bacteria that may be associated with the onset and progression of ED.
Materials and Methods:
The genetic variation data of 196 human gut microbiota incorporated in our study came from the human gut microbiome Genome Wide Association Studies (GWAS) dataset released by the MiBioGen Consortium. The GWAS statistics for ED were extracted from one study by Bovijn et al., which included 223,805 participants of European ancestry, of whom 6,175 were diagnosed with ED. Subsequently, Mendelian randomization (MR) analysis was carried out to explore whether a causal relationship exists between the gut microbiota and ED. Additionally, bidirectional MR analysis was performed to examine the directionality of the causal relationship.
Results:
Through MR analysis, we found that family Lachnospiraceae (odds ratio [OR]: 1.27, 95% confidence interval [CI]: 1.05–1.52, p=0.01) and its subclass genus LachnospiraceaeNC2004 group (OR: 1.17, 95% CI: 1.01–1.37, p=0.04) are associated with a higher risk of ED. In addition, genus Oscillibacter (OR: 1.17, 95% CI: 1.02–1.35, p=0.03), genus Senegalimassilia (OR: 1.32, 95% CI: 1.06–1.64, p=0.01) and genus Tyzzerella3 (OR: 1.14, 95% CI: 1.02–1.27, p=0.02) also increase the risk of ED. In contrast, the inverse variance weighted estimate of genus RuminococcaceaeUCG013 (OR: 0.77, 95% CI: 0.61–0.96, p=0.02) suggests that it has a protective effect against the occurrence of ED.
Conclusions
This study preliminarily identified 6 bacterial taxa that may have a causal relationship with ED, including family Lachnospiraceae, genus Lachnospiraceae NC2004 group, Oscillibacter, Senegalimassilia, Tyzzerella 3 and Ruminococcaceae UCG013. These identified important bacterial taxa may serve as candidates for microbiome intervention in future ED clinical trials.
7.The Association between the Gut Microbiota and Erectile Dysfunction
Tianle ZHU ; Xi LIU ; Peng YANG ; Yukuai MA ; Pan GAO ; Jingjing GAO ; Hui JIANG ; Xiansheng ZHANG
The World Journal of Men's Health 2024;42(4):772-786
Purpose:
Explore the causal relationship between the gut microbiota and erectile dysfunction (ED) at phylum, class, order, family, and genus levels, and identify specific pathogenic bacteria that may be associated with the onset and progression of ED.
Materials and Methods:
The genetic variation data of 196 human gut microbiota incorporated in our study came from the human gut microbiome Genome Wide Association Studies (GWAS) dataset released by the MiBioGen Consortium. The GWAS statistics for ED were extracted from one study by Bovijn et al., which included 223,805 participants of European ancestry, of whom 6,175 were diagnosed with ED. Subsequently, Mendelian randomization (MR) analysis was carried out to explore whether a causal relationship exists between the gut microbiota and ED. Additionally, bidirectional MR analysis was performed to examine the directionality of the causal relationship.
Results:
Through MR analysis, we found that family Lachnospiraceae (odds ratio [OR]: 1.27, 95% confidence interval [CI]: 1.05–1.52, p=0.01) and its subclass genus LachnospiraceaeNC2004 group (OR: 1.17, 95% CI: 1.01–1.37, p=0.04) are associated with a higher risk of ED. In addition, genus Oscillibacter (OR: 1.17, 95% CI: 1.02–1.35, p=0.03), genus Senegalimassilia (OR: 1.32, 95% CI: 1.06–1.64, p=0.01) and genus Tyzzerella3 (OR: 1.14, 95% CI: 1.02–1.27, p=0.02) also increase the risk of ED. In contrast, the inverse variance weighted estimate of genus RuminococcaceaeUCG013 (OR: 0.77, 95% CI: 0.61–0.96, p=0.02) suggests that it has a protective effect against the occurrence of ED.
Conclusions
This study preliminarily identified 6 bacterial taxa that may have a causal relationship with ED, including family Lachnospiraceae, genus Lachnospiraceae NC2004 group, Oscillibacter, Senegalimassilia, Tyzzerella 3 and Ruminococcaceae UCG013. These identified important bacterial taxa may serve as candidates for microbiome intervention in future ED clinical trials.
8.The Association between the Gut Microbiota and Erectile Dysfunction
Tianle ZHU ; Xi LIU ; Peng YANG ; Yukuai MA ; Pan GAO ; Jingjing GAO ; Hui JIANG ; Xiansheng ZHANG
The World Journal of Men's Health 2024;42(4):772-786
Purpose:
Explore the causal relationship between the gut microbiota and erectile dysfunction (ED) at phylum, class, order, family, and genus levels, and identify specific pathogenic bacteria that may be associated with the onset and progression of ED.
Materials and Methods:
The genetic variation data of 196 human gut microbiota incorporated in our study came from the human gut microbiome Genome Wide Association Studies (GWAS) dataset released by the MiBioGen Consortium. The GWAS statistics for ED were extracted from one study by Bovijn et al., which included 223,805 participants of European ancestry, of whom 6,175 were diagnosed with ED. Subsequently, Mendelian randomization (MR) analysis was carried out to explore whether a causal relationship exists between the gut microbiota and ED. Additionally, bidirectional MR analysis was performed to examine the directionality of the causal relationship.
Results:
Through MR analysis, we found that family Lachnospiraceae (odds ratio [OR]: 1.27, 95% confidence interval [CI]: 1.05–1.52, p=0.01) and its subclass genus LachnospiraceaeNC2004 group (OR: 1.17, 95% CI: 1.01–1.37, p=0.04) are associated with a higher risk of ED. In addition, genus Oscillibacter (OR: 1.17, 95% CI: 1.02–1.35, p=0.03), genus Senegalimassilia (OR: 1.32, 95% CI: 1.06–1.64, p=0.01) and genus Tyzzerella3 (OR: 1.14, 95% CI: 1.02–1.27, p=0.02) also increase the risk of ED. In contrast, the inverse variance weighted estimate of genus RuminococcaceaeUCG013 (OR: 0.77, 95% CI: 0.61–0.96, p=0.02) suggests that it has a protective effect against the occurrence of ED.
Conclusions
This study preliminarily identified 6 bacterial taxa that may have a causal relationship with ED, including family Lachnospiraceae, genus Lachnospiraceae NC2004 group, Oscillibacter, Senegalimassilia, Tyzzerella 3 and Ruminococcaceae UCG013. These identified important bacterial taxa may serve as candidates for microbiome intervention in future ED clinical trials.
9.Akt2 inhibitor promotes M2 macrophage polarization in rats with periapical inflammation by reducing miR-155-5p expression.
Jingyi LI ; Siyuan YANG ; Zhen HAN ; Tianle JIANG ; Yao ZHU ; Zihang ZHOU ; Jingping ZHOU
Journal of Southern Medical University 2023;43(4):568-576
OBJECTIVE:
To investigate the effect of Akt2 inhibitor on macrophage polarization in the periapical tissue in a rat model of periapical inflammation.
METHODS:
Rat models of periapical inflammation were established in 28 normal SD rats by opening the pulp cavity of the mandibular first molars, followed by injection of normal saline and Akt2 inhibitor into the left and right medullary cavities, respectively. Four rats without any treatment served as the healthy control group. At 7, 14, 21 and 28 days after modeling, 7 rat models and 1 control rat were randomly selected for observation of inflammatory infiltration in the periapical tissues by X-ray and HE staining. Immunohistochemistry was used to detect the expression and localization of Akt2, macrophages and the inflammatory mediators. RT-PCR was performed to detect the mRNA expressions of Akt2, CD86, CD163, inflammatory mediators, miR-155-5p and C/EBPβ to analyze the changes in macrophage polarization.
RESULTS:
X-ray and HE staining showed that periapical inflammation was the most obvious at 21 days after modeling in the rats. Immunohistochemistry and RT-PCR showed that compared with those in the control rats, the expressions of Akt2, CD86, CD163, miR-155-5p, C/EBPβ, and IL-10 increased significantly in the rat models at 21 days (P < 0.05). Compared with saline treatment, treatment with the Akt2 inhibitor significantly decreased the expression levels of Akt2, CD86, miR-155-5p and IL-6 and the ratio of CD86+M1/CD163+M2 macrophages (P < 0.05) and increased the expression levels of CD163, C/EBPβ and IL-10 in the rat models (P < 0.05).
CONCLUSION
Inhibition of Akt2 can delay the progression of periapical inflammation in rats and promote M2 macrophage polarization in the periapical inflammatory microenvironment possibly by reducing miR-155-5p expression and activating the expression of C/EBPβ in the Akt signaling pathway.
Rats
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Animals
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Proto-Oncogene Proteins c-akt/metabolism*
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MicroRNAs/genetics*
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Interleukin-10
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Rats, Sprague-Dawley
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Macrophages/metabolism*
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Inflammation/metabolism*
10.High-quality Formation of Cistanches Herba: A Review
Jing ZHANG ; Tiantian ZHU ; Ling JIN ; Tianle LIU ; Minghui ZHANG ; Li XU ; Shuqi KANG
Chinese Journal of Experimental Traditional Medical Formulae 2023;29(18):259-266
With the continuous development of traditional Chinese medicine (TCM), the requirement for the quality of Chinese medicines has become increasingly higher since they have been widely used in clinical practice. Chinese medicinal materials are the material basis for the inheritance and development of TCM, and their quality directly affects the clinical efficacy. Studying the quality of Chinese medicinal materials is the key to ensure the quality and realize the large-scale application. As one of rare Chinese medicinal materials, Cistanches Herba has the functions of tonifying kidney yang, invigorating blood and essence, moistening intestines to relieve constipation. High-quality Cistanches Herba is characterized by glossy appearance, high density, fleshy and soft texture, and sweet taste. With the reduction of wild resources, the products from cultivated Cistanche deserticola or C. tubulosa become dominant on the market of Cistanches Herba. The cultivation areas are widely distributed, mainly concentrated in Gansu, Inner Mongolia, and Xinjiang. However, the cultivated products have varied quality due to the differences in germplasm, producing region, cultivation method, harvesting, and processing. According to the theories of quality evaluation based on morphological characteristics and excellent appearance indicating high quality, this paper reviewed the literature on the quality evaluation, growth, development, and processing of Cistanches Herba in the last decade to explore the main factors (genetic characteristics, environmental conditions, and harvesting and processing factors) affecting the quality of Cistanches Herba. The review aims to explore the factors for the high quality and provide a reference for the producing region screening, directional cultivation, and production of Cistanches Herba.

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