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Discovery of New Non-Steroidal Farnesoid X Receptor Modulators Through 3D Shape Similarity Search and Structure-Based Virtual Screening |
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| Authors: | Lei Wang Pei Si Yayun Sheng Yingjie Chen Ping Wan Xu Shen Yun Tang Lili Chen Weihua Li |
| Affiliation: | 1. Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology, 130 Meilong Road, Shanghai, 200237 China These authors contributed equally to this work.;2. College of Life and Environmental Sciences, Shanghai Normal University, 100 Guilin Road, Shanghai, 200234 China State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zuchongzhi Road, Shanghai, 201203 China These authors contributed equally to this work.;3. Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology, 130 Meilong Road, Shanghai, 200237 China;4. College of Life and Environmental Sciences, Shanghai Normal University, 100 Guilin Road, Shanghai, 200234 China;5. State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zuchongzhi Road, Shanghai, 201203 China;6. State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zuchongzhi Road, Shanghai, 201203 China Corresponding authors: Weihua Li, whli@ecust.edu.cn Lili Chen, lilichen@simm.ac.cn;7. Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology, 130 Meilong Road, Shanghai, 200237 China Corresponding authors: Weihua Li, whli@ecust.edu.cn Lili Chen, lilichen@simm.ac.cn |
| Abstract: | |
| Keywords: | farnesoid X receptor modulators similarity search virtual screening |