Publications

PhenoScreen: A Dual-Space Contrastive Learning Framework-based Phenotypic Screening Method by Linking Chemical Perturbations to Cellular Morpholog

Published in bioRxiv, 2024

Shihang Wang, Qilei Han, Weichen Qin, Lin Wang, Junhong Yuan, Yiqun Zhao, Pengxuan Ren, Yunze Zhang, Yilin Tang, Ruifeng Li, Zongquan Li, Wenchao Zhang, Shenghua Gao and Fang Bai, "PhenoScreen: A Dual-Space Contrastive Learning Framework-based Phenotypic Screening Method by Linking Chemical Perturbations to Cellular Morpholog." bioRxiv, 2024.

Conformational Space Profiling Enhances Generic Molecular Representation for AI-Powered Ligand-Based Drug Discovery

Published in Advanced Science, 2024

Lin Wang, Shihang Wang, Hao Yang, Shiwei Li, Xinyu Wang, Yongqi Zhou, Siyuan Tian, Lu Liu, and Fang Bai, "Conformational Space Profiling Enhances Generic Molecular Representation for AI-Powered Ligand-Based Drug Discovery." Advanced Science, 2024.

Propofol exerts anti-anhedonia effects via inhibiting the dopamine transporter

Published in Neuron, 2023

Xiao-Na Zhu, Jie Li, Gao-Lin Qiu, Lin Wang, Chen Lu, Yi-Ge Guo, Ke-Xin Yang, Fang Cai, Tao Xu, Ti-Fei Yuan, Ji Hu, "Propofol exerts anti-anhedonia effects via inhibiting the dopamine transporter." Neuron, 2023.

Discovery, structural optimization, and anti-tumor bioactivity evaluations of betulinic acid derivatives as a new type of ROR$gamma$ antagonists

Published in European Journal of Medicinal Chemistry, 2023

Lianghe Mei, Lansong Xu, Sanan Wu, Yafang Wang, Chao Xu, Lin Wang, Xingyu Zhang, Chengcheng Yu, Hualiang Jiang, Xianglei Zhang, Fang Bai, Chengying Xie, "Discovery, structural optimization, and anti-tumor bioactivity evaluations of betulinic acid derivatives as a new type of ROR$gamma$ antagonists." European Journal of Medicinal Chemistry, 2023.

DeepSA: a deep-learning driven predictor of compound synthesis accessibility

Published in Journal of Cheminformatics, 2023

Shihang Wang, Lin Wang, Fenglei Li, Fang BAI, "DeepSA: a deep-learning driven predictor of compound synthesis accessibility." Journal of Cheminformatics, 2023.

Probing the Allosteric Inhibition Mechanism of a Spike Protein Using Molecular Dynamics Simulations and Active Compound Identifications

Published in Journal of Medicinal Chemistry, 2022

Qian Wang, Lin Wang, Yumin Zhang, Xiang Zhang, Leike Zhang, Weijuan Shang, Fang Bai, "Probing the Allosteric Inhibition Mechanism of a Spike Protein Using Molecular Dynamics Simulations and Active Compound Identifications." Journal of Medicinal Chemistry, 2022. https://doi.org/10.1021/acs.jmedchem.1c00320

Target-Based Virtual Screening and LC/MS-Guided Isolation Procedure for Identifying Phloroglucinol-Terpenoid Inhibitors of SARS-CoV-2

Published in Journal of Natural Products, 2022

Bo Hou, Yu Zhang, Han Liao, Li Fu, De Li, Xin Zhao, Jian Qi, Wei Yang, Geng Xiao, Lian Yang, Zheng Zuo, Lin Wang, Xiang Zhang, Fang Bai, Liu Yang, George Gao, Hao Song, Jiang Hu, Wei Shang, Jun Zhou, "Target-Based Virtual Screening and LC/MS-Guided Isolation Procedure for Identifying Phloroglucinol-Terpenoid Inhibitors of SARS-CoV-2." Journal of Natural Products, 2022.

Synthesis of maleimide-braced peptide macrocycles and their potential anti-SARS-CoV-2 mechanisms

Published in Chemical Communications, 2022

Jian Li, Jina Sun, Xianglei Zhang, Ruxue Zhang, Qian Wang, Lin Wang, Leike Zhang, Xiong Xie, Chunpu Li, Yu Zhou, Jiang Wang, Gengfu Xiao, Fang Bai, Hong Liu, "Synthesis of maleimide-braced peptide macrocycles and their potential anti-SARS-CoV-2 mechanisms." Chemical Communications, 2022.

Recent advances in predicting protein–protein interactions with the aid of artificial intelligence algorithms

Published in Current Opinion in Structural Biology, 2022

Shiwei Li, Sanan Wu, Lin Wang, Fenglei Li, Hualiang Jiang, Fang Bai, "Recent advances in predicting protein–protein interactions with the aid of artificial intelligence algorithms." Current Opinion in Structural Biology, 2022.

Rapamycin targets STAT3 and impacts c-Myc to suppress tumor growth

Published in Cell Chemical Biology, 2022

Le Sun, Yu Yan, Heng Lv, Jianlong Li, Zhiyuan Wang, Kun Wang, Lin Wang, Yunxia Li, Hong Jiang, Yaoyang Zhang, "Rapamycin targets STAT3 and impacts c-Myc to suppress tumor growth." Cell Chemical Biology, 2022.

PiLSL: pairwise interaction learning-based graph neural network for synthetic lethality prediction in human cancers

Published in Bioinformatics (Oxford, England), 2022

Xin Liu, Jiale Yu, Siyu Tao, Beiyuan Yang, Shike Wang, Lin Wang, Fang Bai, Jie Zheng, "PiLSL: pairwise interaction learning-based graph neural network for synthetic lethality prediction in human cancers." Bioinformatics (Oxford, England), 2022.

PPI-Miner: A Structure and Sequence Motif Co-Driven Protein-Protein Interaction Mining and Modeling Computational Method

Published in Journal of Chemical Information and Modeling, 2022

Lin Wang, Feng Li, Xin Ma, Yong Cang, Fang Bai, "PPI-Miner: A Structure and Sequence Motif Co-Driven Protein-Protein Interaction Mining and Modeling Computational Method." Journal of Chemical Information and Modeling, 2022. https://pubs.acs.org/doi/full/10.1021/acs.jcim.2c01033

Discovery of potential small molecular SARS-CoV-2 entry blockers targeting the spike protein

Published in Acta Pharmacologica Sinica, 2022

Lin Wang, Yan Wu, Sheng Yao, Huan Ge, Ya Zhu, Kun Chen, Wen Chen, Yi Zhang, Wei Zhu, Hong Wang, Yu Guo, Pei Ma, Peng Ren, Xiang Zhang, Hui Li, Mohammad Ali, Wen Xu, Hua Jiang, Lei Zhang, Li Zhu, Yang Ye, Wei Shang, Fang Bai, "Discovery of potential small molecular SARS-CoV-2 entry blockers targeting the spike protein." Acta Pharmacologica Sinica, 2022.

Discovery, evaluation and mechanism study of WDR5-targeted small molecular inhibitors for neuroblastoma

Published in Acta Pharmacologica Sinica, 2022

Qi Han, Xiang Zhang, Peng Ren, Liang Mei, Wei Lin, Lin Wang, Yu Cao, Kai Li, Fang Bai, "Discovery, evaluation and mechanism study of WDR5-targeted small molecular inhibitors for neuroblastoma." Acta Pharmacologica Sinica, 2022.

Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue

Published in Nature Communications, 2022

Haofeng Wang, Yunjie Xiao, Xia Chen, Mengwen Zhang, Guangxin Sun, Feng Wang, Lin Wang, Hanxiao Zhang, Xiaoyu Zhang, Xin Yang, Wenling Li, Yi Wei, Deqiang Yao, Bing Zhang, Jun Li, Wen Cui, Fenghua Wang, Cheng Chen, Wei Shen, Dan Su, Fang Bai, Jinhai Huang, Sheng Ye, Lei Zhang, Xiaoyun Ji, Wei Wang, Zefang Wang, Mark Hochstrasser, Haitao Yang, "Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue." Nature Communications, 2022.

A multi-targeting drug design strategy for identifying potent anti-SARS-CoV-2 inhibitors

Published in Acta Pharmacologica Sinica, 2022

Peng Ren, Wei Shang, Wan Yin, Huan Ge, Lin Wang, Xiang Zhang, Bing Li, Hong Li, Ye Xu, Eric Xu, Hua Jiang, Li Zhu, Lei Zhang, Fang Bai, "A multi-targeting drug design strategy for identifying potent anti-SARS-CoV-2 inhibitors." Acta Pharmacologica Sinica, 2022.

Identification of Potential Binding Sites of Sialic Acids on the RBD Domain of SARS-CoV-2 Spike Protein

Published in Frontiers in Chemistry, 2021

Bingqian Li, Lin Wang, Huan Ge, Xianglei Zhang, Penxuan Ren, Yu Guo, Wuyan Chen, Jie Li, Wei Zhu, Wenzhang Chen, Lili Zhu, Fang Bai, "Identification of Potential Binding Sites of Sialic Acids on the RBD Domain of SARS-CoV-2 Spike Protein." Frontiers in Chemistry, 2021.

CKB inhibits epithelial-mesenchymal transition and prostate cancer progression by sequestering and inhibiting AKT activation

Published in Neoplasia (United States), 2021

Zheng Wang, Mohit Hulsurkar, Lijuan Zhuo, Jinbang Xu, Han Yang, Samira Naderinezhad, Lin Wang, Guoliang Zhang, Nanping Ai, Linna Li, Jeffrey Chang, Songlin Zhang, Ladan Fazli, Chad Creighton, Fang Bai, Michael Ittmann, Martin Gleave, Wenliang Li, "CKB inhibits epithelial-mesenchymal transition and prostate cancer progression by sequestering and inhibiting AKT activation." Neoplasia (United States), 2021.

The structural study of mutation-induced inactivation of human muscarinic receptor M4

Published in IUCrJ, 2020

Jingjing Wang, Meng Wu, Lijie Wu, Yueming Xu, Fei Li, Yiran Wu, Petr Popov, Lin Wang, Fang Bai, Suwen Zhao, Zhi Liu, Tian Hua, "The structural study of mutation-induced inactivation of human muscarinic receptor M4." IUCrJ, 2020.

Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors

Published in Nature, 2020

Zhenming Jin, Xiaoyu Du, Yechun Xu, Yongqiang Deng, Meiqin Liu, Yao Zhao, Bing Zhang, Xiaofeng Li, Leike Zhang, Chao Peng, Yinkai Duan, Jing Yu, Lin Wang, Kailin Yang, Fengjiang Liu, Rendi Jiang, Xinglou Yang, Tian You, Xiaoce Liu, Xiuna Yang, Fang Bai, Hong Liu, Xiang Liu, Luke Guddat, Wenqing Xu, Gengfu Xiao, Chengfeng Qin, Zhengli Shi, Hualiang Jiang, Zihe Rao, Haitao Yang, "Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors." Nature, 2020.

Antimicrobial resistance in clinical Ureaplasma spp. And Mycoplasma hominis and Structural Mechanisms Underlying Quinolone Resistance

Published in Antimicrobial Agents and Chemotherapy, 2020

Ting Yang, Lianlian Pan, Ningning Wu, Lin Wang, Zhen Liu, Yingying Kong, Zhi Ruan, Xinyou Xie, Jun Zhang, "Antimicrobial resistance in clinical Ureaplasma spp. And Mycoplasma hominis and Structural Mechanisms Underlying Quinolone Resistance." Antimicrobial Agents and Chemotherapy, 2020.

Lin Wang (王林)

Publications