J. Xia

发表

Screening of cytochrome P450 3A4 inhibitors via in silico and in vitro approaches

G. Du, Ai-lin Liu, Xiaocong Pang, 2018, RSC advances.

Virtual Screening against Phosphoglycerate Kinase 1 in Quest of Novel Apoptosis Inhibitors

Song Wu, X. Wang, J. Xia, 2017, Molecules.

Metallaphotoredox-catalyzed C–H activation: regio-selective annulation of allenes with benzamide

Xueyao Li, Song Wu, W. Pan, 2021 .

Design, synthesis and antibacterial evaluation of pleuromutilin derivatives.

Song Wu, W. Pan, J. Xia, 2022, Bioorganic & medicinal chemistry.

In silico drug repositioning for the treatment of Alzheimer's disease using molecular docking and gene expression data

Xiujie Chen, H. Xie, Denan Zhang, 2016 .

Histone deacetylase 3-selective inhibitor RGFP966 ameliorates impaired glucose tolerance through β-cell protection.

Shuainan Liu, Z. Shen, Yi Huan, 2020, Toxicology and applied pharmacology.

Discovery of potent PTP1B inhibitors via structure-based drug design, synthesis and in vitro bioassay of Norathyriol derivatives.

Song Wu, X. Wang, J. Xia, 2019, Bioorganic chemistry.

Design, Synthesis and Biological Evaluation of Noncovalent Inhibitors of Human CD38 NADase

L. Zhang, Lihe Zhang, Hongwei Jin, 2012, ChemMedChem.

The discovery of novel HDAC3 inhibitors via virtual screening and in vitro bioassay

Song Wu, X. Wang, Huabin Hu, 2018, Journal of enzyme inhibition and medicinal chemistry.

Structural optimization and biological evaluation of 1-adamantylcarbonyl-4-phenylpiperazine derivatives as FXR agonists for NAFLD.

Z. Shen, L. Zhang, Zhen-ming Liu, 2022, European journal of medicinal chemistry.

Metallaphotoredox-catalyzed C–H activation: regio-selective annulation of allenes with benzamide

Xueyao Li, Song Wu, W. Pan, 2020, Organic Chemistry Frontiers.

Bacterial lipoprotein biosynthetic pathway as a potential target for structure-based design of antibacterial agents.

Song Wu, J. Xia, Hongmin Zhang, 2018, Current medicinal chemistry.

Mechanism-based design, synthesis and biological studies of N⁵-substituted tetrahydrofolate analogs as inhibitors of cobalamin-dependent methionine synthase and potential anticancer agents.

B. Golding, Ying Guo, Junyi Liu, 2012, European journal of medicinal chemistry.

Design, synthesis, and evaluation of metabolism-based analogues of haloperidol incapable of forming MPP+-like species.

Anne W. Schmidt, R. Altundas, J. Xia, 2004, Journal of medicinal chemistry.

Recent progress and future potential for metal complexes as anticancer drugs targeting G-quadruplex DNA.

L. Ma, J. Zhang, F. Zhang, 2012, Current medicinal chemistry.

Structure-activity relationship of purine ribonucleosides for inhibition of hepatitis C virus RNA-dependent RNA polymerase.

Quanlai Song, Jie Xia, Daniel R McMasters, 2004, Journal of medicinal chemistry.

Discovery of N-quinazolinone-4-hydroxy-2-quinolone-3-carboxamides as DNA gyrase B-targeted antibacterial agents

Xuefu You, Xueyao Li, J. Kirchmair, 2022, Journal of enzyme inhibition and medicinal chemistry.

N-thiadiazole-4-hydroxy-2-quinolone-3-carboxamides bearing heteroaromatic rings as novel antibacterial agents: Design, synthesis, biological evaluation and target identification.

Xueyao Li, J. Kirchmair, Song Wu, 2019, European journal of medicinal chemistry.

Computational representations of protein–ligand interfaces for structure-based virtual screening

Song Wu, X. Wang, J. Xia, 2021, Expert opinion on drug discovery.

Combination of Docking-Based and Pharmacophore-Based Virtual Screening Identifies Novel Agonists That Target the Urotensin Receptor

Li Gao, Guanhua Du, J. Xia, 2022, Molecules.

Anti-MRSA drug discovery by ligand-based virtual screening and biological evaluation.

I. Tetko, Pavel Karpov, Xueyao Li, 2021, Bioorganic chemistry (Print).

Machine learning- and structure-based discovery of a novel chemotype as FXR agonists for potential treatment of nonalcoholic fatty liver disease.

Z. Shen, L. Zhang, Zhen-ming Liu, 2023, European journal of medicinal chemistry.

Benchmarking methods and data sets for ligand enrichment assessment in virtual screening.

Jie Xia, Ermias Lemma Tilahun, Terry-Elinor Reid, 2015, Methods.

Comparative Modeling and Benchmarking Data Sets for Human Histone Deacetylases and Sirtuin Families

Jie Xia, Ermias Lemma Tilahun, Terry-Elinor Reid, 2015, J. Chem. Inf. Model..

Enrichment Assessment of Multiple Virtual Screening Strategies for Toll‐Like Receptor 8 Agonists Based on a Maximal Unbiased Benchmarking Data Set

Xin Zhou, Jie Xia, Liangren Zhang, 2015, Chemical biology & drug design.

Discovery of novel isoflavone derivatives as AChE/BuChE dual-targeted inhibitors: synthesis, biological evaluation and molecular modelling

Jie Xia, Xinpeng Li, Song Wu, 2017, Journal of enzyme inhibition and medicinal chemistry.

Design and synthesis of conformationally constrained salinomycin derivatives.

Qi Zhou, Song Wu, J. Xia, 2017, European journal of medicinal chemistry.

Novel PORCN inhibitor WHN-88 targets Wnt/β-catenin pathway and prevents the growth of Wnt-driven cancers.

Shaohua Zhang, Ling-mei Kong, Yan Li, 2023, European Journal of Pharmacology.

Synthesis and biological activity evaluation of 20-epi-salinomycin and its 20-O-acyl derivatives

Liu Wang, Qi Zhou, Jie Hao, 2016 .

A unique ligand‐steered strategy for CC chemokine receptor 2 homology modeling to facilitate structure‐based virtual screening

Hongwei Jin, L. Zhang, Zhen-ming Liu, 2021, Chemical biology & drug design.

A Thoroughly Validated Virtual Screening Strategy for Discovery of Novel HDAC3 Inhibitors

Jie Xia, Xiang Simon Wang, Huabin Hu, 2017, International journal of molecular sciences.

Pose Filter-Based Ensemble Learning Enables Discovery of Orally Active, Nonsteroidal Farnesoid X Receptor Agonists

Xing Wang, Hongmin Zhang, Jie Xia, 2020, J. Chem. Inf. Model..

The Development of Target-Specific Pose Filter Ensembles To Boost Ligand Enrichment for Structure-Based Virtual Screening

Song Wu, Jie Xia, Xiang Simon Wang, 2017, J. Chem. Inf. Model..

Maximal Unbiased Benchmarking Data Sets for Human Chemokine Receptors and Comparative Analysis

Song Wu, Jie Xia, Terry-Elinor Reid, 2018, J. Chem. Inf. Model..

AutoMolDesigner for Antibiotic Discovery: An AI-based Open-source Software for Automated Design of Small-molecule Antibiotics

J. Xia, Xinxin Si, Zunsheng Han, 2023, bioRxiv.

An Unbiased Method To Build Benchmarking Sets for Ligand-Based Virtual Screening and its Application To GPCRs

Zhenming Liu, Jie Xia, Hongwei Jin, 2014, J. Chem. Inf. Model..

Deep Reinforcement Learning Enables Better Bias Control in Benchmark for Virtual Screening

J. Xia, Tao Shen, Dongmei Wang, 2023, bioRxiv.

HDAC3i‐Finder: A Machine Learning‐based Computational Tool to Screen for HDAC3 Inhibitors

Ya Chen, Shan Li, Johannes Kirchmair, 2020, Molecular informatics.

MUBD‐DecoyMaker 2.0: A Python GUI Application to Generate Maximal Unbiased Benchmarking Data Sets for Virtual Drug Screening

Yu Ding, Song Wu, Shan Li, 2019, Molecular informatics.