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List of works by Qiong Gu

ASDB: a resource for probing protein functions with small molecules.

scientific article published on 28 January 2016

An in silico protocol for identifying mTOR inhibitors from natural products.

scientific article

Anti-inflammatory neolignans from the roots of Magnolia officinalis.

scientific article

Anti-influenza agents from Traditional Chinese Medicine.

scientific article published on January 2010

Carolignans from the Aerial Parts of Euphorbia sikkimensis and Their Anti-HIV Activity

scientific article published on 12 January 2016

Cembrane-type diterpenoids from Macaranga pustulata

scientific article published on 23 June 2018

ChemStable: a web server for rule-embedded naïve Bayesian learning approach to predict compound stability

scientific article published on 17 July 2014

Chemical Structure Similarity Search for Ligand-based Virtual Screening: Methods and Computational Resources.

scientific article published in November 2015

Chemical constituents from Daphne tangutica and their cytotoxicity against nasopharyngeal carcinoma cells

scientific article published on 24 August 2018

Cosmetic applications of glucitol-core containing gallotannins from a proprietary phenolic-enriched red maple (Acer rubrum) leaves extract: inhibition of melanogenesis via down-regulation of tyrosinase and melanogenic gene expression in B16F10 melan

scientific article

Crystal structure of CntK, the cofactor-independent histidine racemase in staphylopine-mediated metal acquisition of Staphylococcus aureus

scientific article published on 23 May 2019

Crystal structure of a membrane-bound l-amino acid deaminase from Proteus vulgaris

scientific article

Cumambrin A prevents OVX-induced osteoporosis via the inhibition of osteoclastogenesis, bone resorption, and RANKL signaling pathways

scientific article published on 26 February 2019

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

scientific article published on 21 February 2019

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

scientific article published on 7 November 2017

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

scientific article published on 27 February 2018

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

scientific article

Discovering new agents active against methicillin-resistant Staphylococcus aureus with ligand-based approaches

scientific article

Discovering new mTOR inhibitors for cancer treatment through virtual screening methods and in vitro assays

scientific article

Discovery of New Selective Human Aldose Reductase Inhibitors through Virtual Screening Multiple Binding Pocket Conformations ⬇️

scientific article published on August 26, 2013

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

scientific article published on 28 September 2018

Discovery of diverse diterpenoid scaffolds from Euphorbia antiquorum and their activity against RANKL-induced osteoclastogenesis

scientific article published on 18 September 2019

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

scientific article published on 01 March 2018

Discovery of new inhibitors against both NF-κB and osteoclastogenesis from in-house library with α, β-unsaturated-enone fragment

scientific article published on 28 March 2019

Discovery of novel rivastigmine-hydroxycinnamic acid hybrids as multi-targeted agents for Alzheimer's disease

scientific article published on 17 September 2016

Discovery of novel tRNA-amino acid dual-site inhibitors against threonyl-tRNA synthetase by fragment-based target hopping

scientific article published on 04 December 2019

Discovery of tissue selective liver X receptor agonists for the treatment of atherosclerosis without causing hepatic lipogenesis

scientific article published on 30 August 2019

Diterpenoids from the aerial parts of Flueggea acicularis and their activity against RANKL-induced osteoclastogenesis

scientific article published on 23 November 2019

Diterpenoids with diverse scaffolds from Vitex trifolia as potential topoisomerase I inhibitor.

scientific article published on 08 June 2017

Ethylnaphthoquinone derivatives as inhibitors of indoleamine-2, 3-dioxygenase from the mangrove endophytic fungus Neofusicoccum austral SYSU-SKS024.

scientific article published on 25 January 2018

Euphomilones A and B, ent-Rosane Diterpenoids with 7/5/6 and 5/7/6 Skeletons from Euphorbia milii

scientific article published on 22 November 2016

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

scientific article published on 24 January 2018

GSA: a GPU-accelerated structure similarity algorithm and its application in progressive virtual screening.

scientific article

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

scientific article published on 04 July 2018

Identify liver X receptor β modulator building blocks by developing a fluorescence polarization-based competition assay

scientific article published on 10 June 2019

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

scientific article published on 07 June 2019

Incorporation of Privileged Structures into Bevirimat Can Improve Activity against Wild-Type and Bevirimat-Resistant HIV-1.

scientific article published on 22 September 2016

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

scientific article published on 01 April 2020

LBVS: an online platform for ligand-based virtual screening using publicly accessible databases

scientific article published on 3 September 2014

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

scientific article published on 06 February 2019

Neo-clerodane diterpenoids from Scutellaria barbata with activity against Epstein-Barr virus lytic replication

scientific article published on 3 February 2015

On the value of homology models for virtual screening: discovering hCXCR3 antagonists by pharmacophore-based and structure-based approaches

scientific article published on 08 May 2012

Optimizing lactose hydrolysis by computer-guided modification of the catalytic site of a wild-type enzyme.

scientific article published on 13 April 2013

PTS: a pharmaceutical target seeker.

scientific article published on 28 December 2017

Palladium-catalyzed C-H bond carboxylation of acetanilides: an efficient usage of N,N-dimethyloxamic acid as the carboxylate source

scientific article published on 01 January 2016

Potential antiviral lignans from the roots of Saururus chinensis with activity against Epstein-Barr virus lytic replication.

scientific article published on 20 December 2013

Predicting DPP-IV inhibitors with machine learning approaches.

scientific article

Predicting dual-targeting anti-influenza agents using multi-models.

scientific article published on 2 October 2014

Predicting mTOR inhibitors with a classifier using recursive partitioning and Naïve Bayesian approaches

scientific article (publication date: 2014)

Predicting selective liver X receptor β agonists using multiple machine learning methods.

scientific article published on May 2015

Pterosin Sesquiterpenoids from Pteris cretica as Hypolipidemic Agents via Activating Liver X Receptors.

scientific article published on 30 November 2016

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

scientific article published on 17 January 2019

SC-514, a selective inhibitor of IKKβ attenuates RANKL-induced osteoclastogenesis and NF-κB activation.

scientific article published on 30 September 2013

Salvianolic acid A, a polyphenolic derivative from Salvia miltiorrhiza bunge, as a multifunctional agent for the treatment of Alzheimer’s disease ⬇️

scientific article published on May 24, 2013

Sciadopitysin: active component from Taxus chinensis for anti-Alzheimer's disease.

scientific article published on 29 April 2013

Semisynthesis of (-)-Rutamarin Derivatives and Their Inhibitory Activity on Epstein-Barr Virus Lytic Replication.

scientific article published on 17 January 2017

Spiroconyone A, a new phytosterol with a spiro [5,6] ring system from Conyza japonica

scientific article published on 07 May 2020

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

scientific article published on 18 October 2019

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

scientific article published on 26 June 2019

Structure Activity Related, Mechanistic, and Modeling Studies of Gallotannins containing a Glucitol-Core and α-Glucosidase

scientific article published on January 2015

Synthesis and anti-neuroinflammatory activity of lactone benzoyl hydrazine and 2-nitro-1-phenyl-1h-indole derivatives as p38α MAPK inhibitors

scientific article published on 9 May 2015

Synthesis and evaluation of tetrahydroisoquinoline-benzimidazole hybrids as multifunctional agents for the treatment of Alzheimer's disease

scientific article published on 04 February 2019

Synthesis of quinolin-2-one alkaloid derivatives and their inhibitory activities against HIV-1 reverse transcriptase.

scientific article published on 7 September 2011

Synthesis, antitumor activity, and mechanism of action of 6-acrylic phenethyl ester-2-pyranone derivatives.

scientific article

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

scientific article published on 10 June 2019

TCMAnalyzer: a Chemo- and Bioinformatics Web Service for Analyzing Traditional Chinese Medicine

scientific article

Talaromynoids A–I, Highly Oxygenated Meroterpenoids from the Marine-Derived Fungus <i>Talaromyces purpureogenus</i> SCSIO 41517 and Their Lipid Accumulation Inhibitory Activities

scientific article published in 2021

The inhibitory effects of different curcuminoids on β-amyloid protein, β-amyloid precursor protein and β-site amyloid precursor protein cleaving enzyme 1 in swAPP HEK293 cells ⬇️

scientific article published on August 18, 2010

The mTOR Inhibitor Manassantin B Reveals A Crucial Role of mTORC2 Signaling in Epstein-Barr Virus Reactivation

scientific article published on 20 April 2020

Three-dimensional pharmacophore modeling of liver-X receptor agonists

scientific article published on 24 March 2011

Triterpenoids from Euphorbia pulcherrima with inhibitory effects on osteoclastogenesis

scientific article published on 08 March 2019

Vitepyrroloids A-D, 2-Cyanopyrrole-Containing Labdane Diterpenoid Alkaloids from the Leaves of Vitex trifolia.

scientific article

cBinderDB: a covalent binding agent database

scientific article published on 23 December 2016

gWEGA: GPU-accelerated WEGA for molecular superposition and shape comparison.

scientific article

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