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528 results on '"Lu, Ai-Ping"'

14. ChemMORT: an automatic ADMET optimization platform using deep learning and multi-objective particle swarm optimization.

Author

Yi, Jia-Cai, Yang, Zi-Yi, Zhao, Wen-Tao, Yang, Zhi-Jiang, Zhang, Xiao-Chen, Wu, Cheng-Kun, Lu, Ai-Ping, and Cao, Dong-Sheng

Subjects
DEEP learning, DRUG discovery, CONSTRAINED optimization, MOLECULAR switches, MOLECULAR structure, PARTICLE swarm optimization, DRUG development
Abstract

Drug discovery and development constitute a laborious and costly undertaking. The success of a drug hinges not only good efficacy but also acceptable absorption, distribution, metabolism, elimination, and toxicity (ADMET) properties. Overall, up to 50% of drug development failures have been contributed from undesirable ADMET profiles. As a multiple parameter objective, the optimization of the ADMET properties is extremely challenging owing to the vast chemical space and limited human expert knowledge. In this study, a freely available platform called Chemical Molecular Optimization, Representation and Translation (ChemMORT) is developed for the optimization of multiple ADMET endpoints without the loss of potency (https://cadd.nscc-tj.cn/deploy/chemmort/). ChemMORT contains three modules: Simplified Molecular Input Line Entry System (SMILES) Encoder, Descriptor Decoder and Molecular Optimizer. The SMILES Encoder can generate the molecular representation with a 512-dimensional vector, and the Descriptor Decoder is able to translate the above representation to the corresponding molecular structure with high accuracy. Based on reversible molecular representation and particle swarm optimization strategy, the Molecular Optimizer can be used to effectively optimize undesirable ADMET properties without the loss of bioactivity, which essentially accomplishes the design of inverse QSAR. The constrained multi-objective optimization of the poly (ADP-ribose) polymerase-1 inhibitor is provided as the case to explore the utility of ChemMORT. [ABSTRACT FROM AUTHOR]

Published
2024
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16. Presence of S100A9-positive inflammatory cells in cancer tissues correlates with an early stage cancer and a better prognosis in patients with gastric cancer

Author

Fan, Biao, Zhang, Lian-Hai, Jia, Yong-ning, Zhong, Xi-Yao, Liu, Yi-Qiang, Cheng, Xiao-Jing, Wang, Xiao-Hong, Xing, Xiao-Fang, Hu, Ying, Li, Ying-Ai, Du, Hong, Zhao, Wei, Niu, Zhao-Jian, Lu, Ai-Ping, Li, Ji-You, and Ji, Jia-Fu

Abstract

Abstract Background S100A9 was originally discovered as a factor secreted by inflammatory cells. Recently, S100A9 was found to be associated with several human malignancies. The purpose of this study is to investigate S100A9 expression in gastric cancer and explore its role in cancer progression. Methods S100A9 expression in gastric tissue samples from 177 gastric cancer patients was assessed by immunohistochemistry. The expression of its dimerization partner S100A8 and the S100A8/A9 heterodimer were also assessed by the same method. The effect of exogenous S100A9 on motility of gastric cancer cells AGS and BGC-823 was then investigated. Results S100A9 was specifically expressed by inflammatory cells such as macrophages and neutrophils in human gastric cancer and gastritis tissues. Statistical analysis showed that a high S100A9 cell count (> = 200) per 200x magnification microscopic field in cancer tissues was predictive of early stage gastric cancer. High S100A9-positive cell count was negatively correlated with lymph node metastasis (P = 0.009) and tumor invasion (P = 0.011). S100A9 was identified as an independent prognostic predictor of overall survival of patients with gastric cancer (P = 0.04). Patients with high S100A9 cell count were with favorable prognosis (P = 0.021). Further investigation found that S100A8 distribution in human gastric cancer tissues was similar to S100A9. However, the number of S100A8-positive cells did not positively correlate with patient survival. The inflammatory cells infiltrating cancer were S100A8/A9 negative, while those in gastritis were positive. Furthermore, exogenous S100A9 protein inhibited migration and invasion of gastric cancer cells. Conclusions Our results suggested S100A9-positive inflammatory cells in gastric cancer tissues are associated with early stage of gastric cancer and good prognosis.

Published
2012

44. Appraisal of clinical practice guidelines for ischemic stroke management in Chinese medicine with appraisal of guidelines for research and evaluation instrument: A systematic review

Author

Yuwen, Ya / 宇文亚, Shi, Nan-nan / 史楠楠, Han, Xue-jie / 韩学杰, Gao, Ying / 高 颖, Xu, Jian-long / 徐建龙, Liu, Da-sheng / 刘大胜, Ng, Bacon, Tsui, Dora, Zhong, Li-dan / 钟丽丹, Ziea, Eric, Bian, Zhao-xiang / 卞兆祥, and Lu, Ai-ping / 吕爱平

Published
2015
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47. Traditional Chinese medicine versus western medicine as used in China in the management of rheumatoid arthritis: a randomized, single-blind, 24-week study

Author

He, Yi-ting, Ou, Ai-hua, Yang, Xiao-bo, Chen, Wei, Fu, Li-yuan, Lu, Ai-ping, Yan, Xiao-ping, Feng, Xing-hua, Su, Li, Song, Yue-jin, Zeng, Sheng-ping, Liu, Wei, Qian, Xian, Zhu, Wan-hua, Lao, Ying-rong, Xu, Wei-hua, Wen, Ze-huai, He, Xiao-hong, Wang, Bao-juan, Chen, Geng-xin, and Xue, Su-qin

Published
2014
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