Jun Xu (0000-0002-1075-0337)

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Biography

Jun Xu, PhD, Professor in Medicinal Chemistry & CADD, Director of Research Center for Drug Discovery (RCDD), Principal Investigator of School of Pharmaceutical Sciences at Sun Yat-Sen University, Fellow of The Royal Society of Chemistry.
He received PhD degree in Chemistry from University of Science & Technology of China in 1989, finished his post-doc training in Protein NMR from Australian National University (ANU) and McGill University in Montreal.
As a leader, he worked in the US pharmaceutical industry for over 20 years. He held the senior positions, such as, R&D Director, Research Fellow, etc. for Bio-Rad Sadtler Labs, DPI/Biofocus, Boehringer Ingelheim Pharmaceuticals, Inc. (BIPI), OMG (now merged with Accelrys) and Tripos.
In 2009, he became Professor of Medicinal Chemistry and CADD, and the Director and Founding Professor of the Research Center for Drug Discovery (RCDD) and the HPC Center for Life Sciences (HPCCLS) at Sun Yat-Sen University (SYSU) in Guangzhou, China.
He specialized in developing new methods for virtual and biological screenings for drug discovery. His algorithms, such as GMA (Generic Match Algorithm for Structural Homomorphism, Isomorphism, and Maximal Common Substructure Match), CAPRI (Protein NMR eluciation), SCA (Structure-based classification algorithm), DLI (Drug-like Index) have become the modules or software engines of RS3 (Accelrys, USA), Sybyl (TRIPOS, USA), and MOE (Chemical Computing Group, Canada).
Recently, he has published algorithms for Molecular dynamics-based virtual screening: Accelerating drug discovery process by high performance computing (DOI: dx.doi.org/10.1021/ci400391s), HPC (high performance computing) based virtual drug screening and three-dimensional structure superimposing (DOI: 10.1007/s11030-013-9452-z; DOI: 10.1021/ci300601q). Most recently, he also focuses on drug innovation, such as, Anti-flu Agents from TCM ( DOI: 10.1039/C0NP00005A), and anti-metabolic syndromes (DOI: 10.1021/ci100511v; DOI: 10.1021/ci2001154). His labs are equipped for natural product or traditional Chinese medicine (TCM) extraction, separation, purification, structure elucidation, biological screening, crystallography, and a number of bio-assay platforms.

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Sun Yat-Sen University: Guangzhou, Guangdong, CN

2009-03-03 to present | Prof/Director (School of Pharmaceutical Sciences)

Employment

Jun Xu

https://orcid.org/0000-0002-1075-0337

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Biography

Activities

Employment (4)

Sun Yat-Sen University: Guangzhou, Guangdong, CN

BioFocus DPI: San Diego, CA, US

Boehringer Ingelheim Corp USA: Ridgefield, CT, US

Bio Rad Laboratories Inc: Hercules, CA, US

Education and qualifications (3)

McGill University: Montreal, QC, CA

Australian National University: Canberra, ACT, AU

University of Science and Technology of China: Hefei, Anhui, CN

Professional activities (1)

Royal Society of Chemistry: London, London, GB

Works (50 of 58)

Discovery of Novel Antiosteoporosis Leads with Bone Resorption Inhibition and Anabolic Promotion through a Chemotype-Assembly Approach

Discovery of Novel Neo-Clerodane Derivatives as Potent Dual-Functional Antiosteoporosis Agents through Targeting Peroxisome Proliferator-Activated Receptor-γ

FerroLigandDB: A Ferroptosis Ligand Database of Structure–Activity Relations

dMXP: A De Novo Small-Molecule 3D Structure Predictor with Graph Attention Networks

Atractylodinol prevents pulmonary fibrosis through inhibiting TGF-β receptor 1 recycling by stabilizing vimentin

Discovery of neo-Clerodane Diterpenoids from Ajuga campylantha as Neuroprotective Agents against Ferroptosis and Neuroinflammation

The binding mode of orphan glycyl-tRNA synthetase with tRNA supports the synthetase classification and reveals large domain movements

Discovery and optimization of 2-(trifluoromethyl)benzimidazole derivatives as novel ferroptosis inducers in vitro and in vivo

Discovery of Spiro[pyrrolidine-3,3′-oxindole] LXRβ Agonists for the Treatment of Osteoporosis

Identification of a binding site on soluble RANKL that can be targeted to inhibit soluble RANK-RANKL interactions and treat osteoporosis

Rubidium Chloride Increases Life Span Through an AMPK/FOXO-Dependent Pathway in Caenorhabditis elegans

Evolving Drug Design Methodology: from QSAR to AIDD

Ferroptosis Inhibitory Aromatic Abietane Diterpenoids from Ajuga decumbens and Structural Revision of Two 3,4-Epoxy Group-Containing Abietanes

Glycerol is Released from a New Path in MGL Lipase Catalytic Process

Design, Synthesis, and Proof-of-Concept of Triple-Site Inhibitors against Aminoacyl-tRNA Synthetases

Discovery of novel diphenylbutene derivative ferroptosis inhibitors as neuroprotective agents

X-shaped structure of bacterial heterotetrameric tRNA synthetase suggests cryptic prokaryote functions and a rationale for synthetase classifications

Inhibiting Ferroptosis through Disrupting the NCOA4–FTH1 Interaction: A New Mechanism of Action

Author Correction: Inhibitory mechanism of reveromycin A at the tRNA binding site of a class I synthetase

Inhibitory mechanism of reveromycin A at the tRNA binding site of a class I synthetase

Discovering High Potent Hsp90 Inhibitors as Antinasopharyngeal Carcinoma Agents through Fragment Assembling Approach

Litchi Products as Dermatological Agents and Their Active Components

Harmane ameliorates obesity though inhibiting lipid accumulation and inducing adipocyte browning

SyntaLinker: automatic fragment linking with deep conditional transformer neural networks

Huang-Qi San ameliorates hyperlipidemia with obesity rats via activating brown adipocytes and converting white adipocytes into brown-like adipocytes

Structural and Biochemical Characterization of SbnC as a Representative Type B Siderophore Synthetase

Diaporisoindole E inhibits RANKL-induced osteoclastogenesis via suppression of PI3K/AKT and MAPK signal pathways

Publisher Correction: Predicting drug–protein interaction using quasi-visual question answering system

Jatrophane Diterpenoids from Euphorbia esula as Inhibitors of RANKL-Induced Osteoclastogenesis

Potential Antidiabetic Fumiquinazoline Alkaloids from the Marine-Derived Fungus Scedosporium apiospermum F41-1

Predicting the Feasibility of Copper(I)-Catalyzed Alkyne–Azide Cycloaddition Reactions Using a Recurrent Neural Network with a Self-Attention Mechanism

OSBP-Related Protein 5L Maintains Intracellular IP3/Ca2+ Signaling and Proliferation in T Cells by Facilitating PIP2 Hydrolysis

Predicting drug–protein interaction using quasi-visual question answering system

Predicting Retrosynthetic Reactions Using Self-Corrected Transformer Neural Networks

LSA: a local-weighted structural alignment tool for pharmaceutical virtual screening

QBMG: quasi-biogenic molecule generator with deep recurrent neural network

Structural Insights into Substrate Recognition and Activity Regulation of the Key Decarboxylase SbnH in Staphyloferrin B Biosynthesis

Structurally Selective Mechanism of Liver X Receptor Ligand: In Silico and In Vitro Studies

Identifying Novel Anti-Osteoporosis Leads with a Chemotype-Assembly Approach

Systematic Studies on the Protocol and Criteria for Selecting a Covalent Docking Tool

DeepChemStable: Chemical Stability Prediction with an Attention-Based Graph Convolution Network

Identifying Structure–Property Relationships through SMILES Syntax Analysis with Self-Attention Mechanism

Monomeric and Dimeric Cytotoxic Guaianolide-Type Sesquiterpenoids from the Aerial Parts of Chrysanthemum indicum

Discovery of a New Pterocarpan-Type Antineuroinflammatory Compound from Sophora tonkinensis through Suppression of the TLR4/NFκB/MAPK Signaling Pathway with PU.1 as a Potential Target

Discovery of indoleamine 2,3-dioxygenase inhibitors using machine learning based virtual screening

Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes

Design, synthesis, and biological evaluation of compounds with a new scaffold as anti-neuroinflammatory agents for the treatment of Alzheimer's disease

Discovering new PI3Kα inhibitors with a strategy of combining ligand-based and structure-based virtual screening

Fluvirosaones A and B, Two Indolizidine Alkaloids with a Pentacyclic Skeleton from Flueggea virosa

Design, syntheses and lipid accumulation inhibitory activities of novel resveratrol mimics

Peer review (50 reviews for 10 publications/grants)