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Author

Baichun Hu

Observed name: Bai-chun Hu
ORCID: 0000-0001-8959-6979
Observed ORCIDs: 0000-0001-8959-6979, 0000-0002-5788-7111
OpenAlex ID: A5024030663
Emerging role of graphene oxide as sorbent for pesticides adsorption: Experimental observations analyzed by molecular modeling
2020 · Hanxun Wang, Baichun Hu, et al. · Journal of Material Science and Technology · 61
Graphene/Fe3O4 nanocomposite for effective removal of ten triazole fungicides from water solution: Tebuconazole as an example for investigation of the adsorption mechanism by experimental and molecular docking study
2018 · Zhaokun Wang, Junyuan Zhang, et al. · Journal of the Taiwan Institute of Chemical Engineers · 53
Overcoming Taxol-resistance in A549 cells: A comprehensive strategy of targeting P-gp transporter, AKT/ERK pathways, and cytochrome P450 enzyme CYP1B1 by 4-hydroxyemodin
2019 · Hao Lin, Baichun Hu, et al. · Biochemical Pharmacology · 47
An amino-functionalized magnetic framework composite of type Fe3O4-NH2@MIL-101(Cr) for extraction of pyrethroids coupled with GC-ECD
2018 · Xi He, Wei Yang, et al. · Microchimica Acta · 46
Carvedilol serves as a novel CYP1B1 inhibitor, a systematic drug repurposing approach through structure-based virtual screening and experimental verification
2020 · Ying Wang, Xiaomei He, et al. · European Journal of Medicinal Chemistry · 43
Molecular dynamics simulation and QM/MM calculation reveal the selectivity mechanism of type I 1/2 kinase inhibitors: the effect of intramolecular H-bonds and conformational restriction for improved selectivity
2019 · Hanxun Wang, Zisen Gao, et al. · Physical Chemistry Chemical Physics · 33
Target recognition and network pharmacology for revealing anti-diabetes mechanisms of natural product
2020 · Ying Wang, Baichun Hu, et al. · Journal of Computational Science · 32
Docking Score ML: Target-Specific Machine Learning Models Improving Docking-Based Virtual Screening in 155 Targets
2024 · Haihan Liu, Baichun Hu, et al. · Journal of Chemical Information and Modeling · 29
Computational insights into the sorption mechanism of polycyclic aromatic hydrocarbons by carbon nanotube through density functional theory calculation and molecular dynamics simulation
2020 · Baichun Hu, Zisen Gao, et al. · Computational Materials Science · 29
Functional mesoporous silica nanoparticles for delivering nimesulide with chiral recognition performance
2019 · Yingyu Guo, Lulu Wu, et al. · Microporous and Mesoporous Materials · 27
Computational insight into dengue virus NS2B-NS3 protease inhibition: A combined ligand- and structure-based approach
2018 · Junning Chen, Hailun Jiang, et al. · Computational Biology and Chemistry · 27
Identification of a Novel Selective CDK9 Inhibitor for the Treatment of CRC: Design, Synthesis, and Biological Activity Evaluation
2024 · Ye Zhong, Jing Xu, et al. · Journal of Medicinal Chemistry · 26
Selectivity mechanism of phosphodiesterase isoform inhibitor through in silico investigations
2021 · Junhao Huang, Baichun Hu, et al. · Journal of Molecular Modeling · 24
In silico study reveals existing drugs as α-glucosidase inhibitors: Structure-based virtual screening validated by experimental investigation
2020 · Jiaofeng Wu, Baichun Hu, et al. · Journal of Molecular Structure · 21
A novel cathepsin L inhibitor prevents the progression of idiopathic pulmonary fibrosis
2019 · Lei Yuan, Chunyang Zou, et al. · Bioorganic Chemistry · 21
Discovery of novel cathepsin inhibitors with potent anti-metastatic effects in breast cancer cells
2018 · Lei Yuan, Lei Sheng, et al. · Bioorganic Chemistry · 21
In Silico Exploration of the Molecular Mechanism of Cassane Diterpenoids on Anti-inflammatory and Immunomodulatory Activity
2019 · Ying Wang, Baichun Hu, et al. · Journal of Chemical Information and Modeling · 20
CK-3, A Novel Methsulfonyl Pyridine Derivative, Suppresses Hepatocellular Carcinoma Proliferation and Invasion by Blocking the PI3K/AKT/mTOR and MAPK/ERK Pathways
2021 · Qiong Wu, Tian-yi Liu, et al. · Frontiers in Oncology · 19
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Studying Histone Deacetylase Inhibition and Apoptosis Induction of Psammaplin A Monomers with Modified Thiol Group
2021 · Yu Bao, Qihao Xu, et al. · ACS Medicinal Chemistry Letters · 18
Selectivity mechanism of BCL-XL/2 inhibition through in silico investigation
2022 · Jiasi Luan, Baichun Hu, et al. · Physical Chemistry Chemical Physics · 17
Identification of isobavachalcone as a potential drug for rice blast disease caused by the fungus Magnaporthe grisea
2018 · Xue Liu, Wei Li, et al. · Journal of Biomolecular Structure and Dynamics · 17
Identification of Pyruvate Dehydrogenase E1 as a Potential Target against Magnaporthe oryzae through Experimental and Theoretical Investigation
2021 · Yuejuan Li, Baichun Hu, et al. · International Journal of Molecular Sciences · 15
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Precise design of highly isoform-selective p21-activated kinase 4 inhibitors: computational insights into the selectivity mechanism through molecular dynamics simulation and binding free energy calculation
2019 · Yuan Su, Peilu Song, et al. · Journal of Biomolecular Structure and Dynamics · 15
Discovery of a novel cathepsin inhibitor with dual autophagy-inducing and metastasis-inhibiting effects on breast cancer cells
2018 · Lei Yuan, Jun Liu, et al. · Bioorganic Chemistry · 15
Perspective of structural flexibility on selective inhibition towards CYP1B1 over CYP1A1 by α-naphthoflavone analogs
2021 · Ying Wang, Baichun Hu, et al. · Physical Chemistry Chemical Physics · 14
Works count: 70
Citation count: 885
H-index: 18
I10-index: 32
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