Deep learning for drug design: an artificial intelligence paradigm for drug discovery in the big data era

Y **g, Y Bian, Z Hu, L Wang, XQS **e - The AAPS journal, 2018 - Springer
Over the last decade, deep learning (DL) methods have been extremely successful and
widely used to develop artificial intelligence (AI) in almost every domain, especially after it …

Artificial intelligence facilitates drug design in the big data era

L Wang, J Ding, L Pan, D Cao, H Jiang… - … and Intelligent Laboratory …, 2019 - Elsevier
With the dramatic development of high-performance computing, the emergence of better
algorithms and the accumulation of large amounts of chemical and biological data, computer …

Gegen Qinlian decoction enhances the effect of PD-1 blockade in colorectal cancer with microsatellite stability by remodelling the gut microbiota and the tumour …

J Lv, Y Jia, J Li, W Kuai, Y Li, F Guo, X Xu, Z Zhao… - Cell Death & …, 2019 - nature.com
Therapeutic antibodies targeting PD-1 have made major breakthroughs in cancer treatment.
However, the majority of colorectal cancer (CRC) cases are microsatellite stable (MSS) and …

Systems pharmacology-based dissection of mechanisms of Chinese medicinal formula Bufei Yishen as an effective treatment for chronic obstructive pulmonary …

J Li, P Zhao, Y Li, Y Tian, Y Wang - Scientific reports, 2015 - nature.com
The present work adopted a systems pharmacology-based approach to provide new
insights into the active compounds and therapeutic targets of Bufei Yishen formula (BYF) for …

System pharmacology-based dissection of the synergistic mechanism of Huangqi and Huanglian for diabetes mellitus

SJ Yue, J Liu, WW Feng, FL Zhang, JX Chen… - Frontiers in …, 2017 - frontiersin.org
The rapidly increasing diabetes mellitus (DM) is becoming a major global public health
issue. Traditional Chinese medicine (TCM) has a long history of the treatment of DM with …

TargetHunter: An In Silico Target Identification Tool for Predicting Therapeutic Potential of Small Organic Molecules Based on Chemogenomic Database

L Wang, C Ma, P Wipf, H Liu, W Su, XQ **e - The AAPS journal, 2013 - Springer
Target identification of the known bioactive compounds and novel synthetic analogs is a
very important research field in medicinal chemistry, biochemistry, and pharmacology. It is …

Herb pair Danggui-Honghua: mechanisms underlying blood stasis syndrome by system pharmacology approach

SJ Yue, LT **n, YC Fan, SJ Li, YP Tang, JA Duan… - Scientific reports, 2017 - nature.com
Abstract Herb pair Danggui-Honghua has been frequently used for treatment of blood stasis
syndrome (BSS) in China, one of the most common clinical pathological syndromes in …

Deciphering the combination principles of Traditional Chinese Medicine from a systems pharmacology perspective based on Ma-huang Decoction

Y Yao, X Zhang, Z Wang, C Zheng, P Li… - Journal of …, 2013 - Elsevier
Ethnopharmacology relevance The main therapeutic concept in Traditional Chinese
Medicine (TCM) is herb formula, which treats various diseases via potential herb interactions …

Applications of artificial intelligence to drug design and discovery in the big data era: a comprehensive review

N Tripathi, MK Goshisht, SK Sahu, C Arora - Molecular Diversity, 2021 - Springer
Artificial intelligence (AI) renders cutting-edge applications in diverse sectors of society. Due
to substantial progress in high-performance computing, the development of superior …

[HTML][HTML] Tianfoshen oral liquid: a CFDA approved clinical traditional Chinese medicine, normalizes major cellular pathways disordered during colorectal …

S Wang, H Wang, Y Lu - Oncotarget, 2017 - ncbi.nlm.nih.gov
Colorectal cancer remains the third leading cause of cancer death worldwide, suggesting
exploration of novel therapeutic avenues may be useful. In this study, therefore, we …