Qiong Gu

Qiong Gu

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Qiong Gu

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

Eur J Med Chem 2019 Sep 10;178:458-467. Epub 2019 Jun 10.

Guangdong Key Laboratory of Chiral Molecule and Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou, 510006, China. Electronic address:

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http://dx.doi.org/10.1016/j.ejmech.2019.06.011DOI Listing
September 2019

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

Bioorg Chem 2019 Sep 18;92:103292. Epub 2019 Sep 18.

Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou 510006, People's Republic of China. Electronic address:

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http://dx.doi.org/10.1016/j.bioorg.2019.103292DOI Listing
September 2019

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

Int J Biol Macromol 2019 Aug 23;135:725-733. Epub 2019 May 23.

Guangdong Key Laboratory of Chiral Molecule and Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou 510006, China. Electronic address:

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http://dx.doi.org/10.1016/j.ijbiomac.2019.05.169DOI Listing
August 2019

Two new lignans from the aerial parts of Saururus chinensis with cytotoxicity toward nasopharyngeal carcinoma.

Fitoterapia 2019 Aug 26:104344. Epub 2019 Aug 26.

Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou 510006, People's Republic of China; Guangdong Provincial Key Laboratory of New Drug Design and Evaluation, School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou 510006, People's Republic of China. Electronic address:

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http://dx.doi.org/10.1016/j.fitote.2019.104344DOI Listing
August 2019

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

Eur J Med Chem 2019 Aug 30;182:111647. Epub 2019 Aug 30.

School of Pharmaceutical Sciences, Sun Yat-Sen University, 132 East Circle Road at University City, Guangzhou, 510006, China. Electronic address:

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https://linkinghub.elsevier.com/retrieve/pii/S02235234193078
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http://dx.doi.org/10.1016/j.ejmech.2019.111647DOI Listing
August 2019

Structurally Selective Mechanism of Liver X Receptor Ligand: and Studies.

J Chem Inf Model 2019 Jul 26;59(7):3277-3290. Epub 2019 Jun 26.

Research Center for Drug Discovery, School of Pharmaceutical Sciences , Sun Yat-Sen University , 132 East Circle at University City , Guangzhou 510006 , China.

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http://dx.doi.org/10.1021/acs.jcim.9b00292DOI Listing
July 2019

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

FASEB J 2019 Jun 26;33(6):6726-6735. Epub 2019 Feb 26.

School of Biomedical Sciences, The University of Western Australia, Perth, Western Australia, Australia.

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http://dx.doi.org/10.1096/fj.201800883RRRDOI Listing
June 2019

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

Bioorg Chem 2019 Jun 28;87:638-646. Epub 2019 Mar 28.

Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou 510006, People's Republic of China; School of Biotechnology and Health Sciences, Wuyi University, 99 Yingbin Road, Jiangmen 529020, People's Republic of China. Electronic address:

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http://dx.doi.org/10.1016/j.bioorg.2019.03.066DOI Listing
June 2019

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

J Med Chem 2019 Jun 7;62(12):5885-5900. Epub 2019 Jun 7.

Research Center for Drug Discovery, School of Pharmaceutical Sciences , Sun Yat-Sen University , Guangzhou 510006 , China.

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http://pubs.acs.org/doi/10.1021/acs.jmedchem.9b00517
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http://dx.doi.org/10.1021/acs.jmedchem.9b00517DOI Listing
June 2019

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

Molecules 2019 Jun 10;24(11). Epub 2019 Jun 10.

Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-Sen University, 132 East Circle at University City, Guangzhou 510006, China.

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http://dx.doi.org/10.3390/molecules24112183DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6600387PMC
June 2019

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

Eur J Med Chem 2019 Apr 4;167:133-145. Epub 2019 Feb 4.

Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou, 510006, People's Republic of China. Electronic address:

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http://dx.doi.org/10.1016/j.ejmech.2019.02.008DOI Listing
April 2019

Triterpenoids from Euphorbia pulcherrima with inhibitory effects on osteoclastogenesis.

Fitoterapia 2019 Apr 8;134:355-361. Epub 2019 Mar 8.

Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou 510006, People's Republic of China; Guangdong Provincial Key Laboratory of New Drug Design and Evaluation, Guangzhou 510006, People's Republic of China. Electronic address:

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http://dx.doi.org/10.1016/j.fitote.2019.02.028DOI Listing
April 2019

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

J Chem Inf Model 2019 Mar 21;59(3):1044-1049. Epub 2019 Feb 21.

School of Pharmaceutical Sciences & School of Data and Computer Science , Sun Yat-Sen University , 132 East Circle at University City , Guangzhou 510006 , China.

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http://dx.doi.org/10.1021/acs.jcim.8b00672DOI Listing
March 2019

Discovery of a small molecule targeting autophagy via ATG4B inhibition and cell death of colorectal cancer cells in vitro and in vivo.

Autophagy 2019 Feb 20;15(2):295-311. Epub 2018 Sep 20.

a School of Pharmaceutical Sciences, National and Local United Engineering Lab of Druggability and New Drugs Evaluation, Guangdong Provincial Key Laboratory of New Drug Design and Evaluation , Sun Yat-Sen University , Guangzhou , Guangdong , China.

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https://www.tandfonline.com/doi/full/10.1080/15548627.2018.1
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http://dx.doi.org/10.1080/15548627.2018.1517073DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6333450PMC
February 2019

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

J Nat Prod 2019 02 6;82(2):349-357. Epub 2019 Feb 6.

Research Center for Drug Discovery, School of Pharmaceutical Sciences , Sun Yat-sen University , Guangzhou 510006 , People's Republic of China.

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http://pubs.acs.org/doi/10.1021/acs.jnatprod.8b00863
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http://dx.doi.org/10.1021/acs.jnatprod.8b00863DOI Listing
February 2019

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.

ACS Chem Neurosci 2019 01 28;10(1):295-303. Epub 2018 Sep 28.

Research Center for Drug Discovery, School of Pharmaceutical Sciences , Sun Yat-sen University , Guangzhou 510006 , People's Republic of China.

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http://pubs.acs.org/doi/10.1021/acschemneuro.8b00243
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http://dx.doi.org/10.1021/acschemneuro.8b00243DOI Listing
January 2019

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

J Cheminform 2019 Jan 17;11(1). Epub 2019 Jan 17.

Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-Sen University, 132 East Circle at University City, Guangzhou, 510006, China.

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http://dx.doi.org/10.1186/s13321-019-0328-9DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6689867PMC
January 2019

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

Fitoterapia 2018 Oct 24;130:105-111. Epub 2018 Aug 24.

Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou 510006, People's Republic of China. Electronic address:

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http://dx.doi.org/10.1016/j.fitote.2018.08.012DOI Listing
October 2018

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

Medchemcomm 2018 Oct 4;9(10):1619-1629. Epub 2018 Jul 4.

Research Center for Drug Discovery , School of Pharmaceutical Sciences , Sun Yat-Sen University , Guangzhou 510006 , China . Email:

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http://xlink.rsc.org/?DOI=C8MD00148K
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http://dx.doi.org/10.1039/c8md00148kDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6194491PMC
October 2018

Cembrane-type diterpenoids from Macaranga pustulata.

Fitoterapia 2018 Sep 23;129:162-166. Epub 2018 Jun 23.

Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou 510006, PR China.

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http://dx.doi.org/10.1016/j.fitote.2018.06.020DOI Listing
September 2018

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

Medchemcomm 2018 Jun 1;9(6):937-945. Epub 2018 Mar 1.

Research Center for Drug Discovery , School of Pharmaceutical Sciences , Sun Yat-sen University , Guangzhou 510006 , China . Email: ; Email: ; Email:

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http://xlink.rsc.org/?DOI=C7MD00642J
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http://dx.doi.org/10.1039/c7md00642jDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6071933PMC
June 2018

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

Eur J Med Chem 2018 Apr;149:129-138

Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou 510006, People's Republic of China. Electronic address:

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http://dx.doi.org/10.1016/j.ejmech.2018.02.063DOI Listing
April 2018

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

Fitoterapia 2018 Mar 31;125:281-285. Epub 2018 Jan 31.

School of Chemistry, Sun Yat-Sen University, Guangzhou 510275, China. Electronic address:

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http://dx.doi.org/10.1016/j.fitote.2018.01.014DOI Listing
March 2018

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

J Chem Inf Model 2018 03 1;58(3):550-555. Epub 2018 Mar 1.

Research Center for Drug Discovery, School of Pharmaceutical Sciences , Sun Yat-sen University , 132 East Circle at University City , Guangzhou 510006 , China.

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http://dx.doi.org/10.1021/acs.jcim.7b00549DOI Listing
March 2018

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

J Comput Aided Mol Des 2018 02 6;32(2):347-361. Epub 2018 Jan 6.

Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-Sen University, Guangzhou, 510006, China.

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http://dx.doi.org/10.1007/s10822-017-0092-8DOI Listing
February 2018

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

Org Lett 2018 02 24;20(4):991-994. Epub 2018 Jan 24.

Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-sen University , Guangzhou 510006, People's Republic of China.

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http://pubs.acs.org/doi/10.1021/acs.orglett.7b03935
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http://dx.doi.org/10.1021/acs.orglett.7b03935DOI Listing
February 2018

Subcritical n-hexane/isopropanol extraction of lipid from wet microalgal pastes of Scenedesmus obliquus.

World J Microbiol Biotechnol 2018 Feb 19;34(3):39. Epub 2018 Feb 19.

Griffith School of Engineering & Centre for Clean Environment and Energy & Environmental Futures Research Institute, Griffith University, Nathan, QLD, Australia.

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http://dx.doi.org/10.1007/s11274-018-2421-zDOI Listing
February 2018

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

Eur J Med Chem 2018 Jan 7;143:114-122. Epub 2017 Nov 7.

School of Pharmaceutical Sciences, Sun Yat-Sen University, 132 East Circle Road at University City, Guangzhou 510006, China. Electronic address:

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http://dx.doi.org/10.1016/j.ejmech.2017.11.017DOI Listing
January 2018

Feature selection method based on support vector machine and shape analysis for high-throughput medical data.

Comput Biol Med 2017 12 12;91:103-111. Epub 2017 Oct 12.

School of Mathematics and Computer Science, Hubei University of Arts and Science, China. Electronic address:

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http://dx.doi.org/10.1016/j.compbiomed.2017.10.008DOI Listing
December 2017

Membrane binding of the insertion sequence of Proteus vulgaris L-amino acid deaminase stabilizes protein structure and increases catalytic activity.

Sci Rep 2017 10 20;7(1):13719. Epub 2017 Oct 20.

Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou, 510006, China.

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http://dx.doi.org/10.1038/s41598-017-14238-7DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5651824PMC
October 2017

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

Curr Drug Targets 2016 ;17(14):1580-1585

Research Center for Drug Discovery (RCDD), Sun Yat-Sen University, 132 East Circle at University City, Guangzhou 510006, China.

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http://dx.doi.org/10.2174/1389450116666151102095555DOI Listing
August 2017

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

Fitoterapia 2017 Jul 8;120:108-116. Epub 2017 Jun 8.

Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou 510006, People's Republic of China.

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http://dx.doi.org/10.1016/j.fitote.2017.06.006DOI Listing
July 2017

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 melanoma cells.

Arch Dermatol Res 2017 May 10;309(4):265-274. Epub 2017 Mar 10.

Bioactive Botanical Research Laboratory, Department of Biomedical and Pharmaceutical Sciences, College of Pharmacy, University of Rhode Island, Kingston, RI, 02881, USA.

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http://dx.doi.org/10.1007/s00403-017-1728-1DOI Listing
May 2017

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

J Nat Prod 2017 05 28;80(5):1679-1683. Epub 2017 Apr 28.

Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-sen University , Guangzhou 510006, People's Republic of China.

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http://pubs.acs.org/doi/10.1021/acs.jnatprod.6b01195
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http://dx.doi.org/10.1021/acs.jnatprod.6b01195DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5520631PMC
May 2017

Predicting DPP-IV inhibitors with machine learning approaches.

J Comput Aided Mol Des 2017 Apr 2;31(4):393-402. Epub 2017 Feb 2.

Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-Sen University, 132 East Circle at University City, Guangzhou, 510006, China.

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http://dx.doi.org/10.1007/s10822-017-0009-6DOI Listing
April 2017

[Highly Efficient Bioflocculation of Microalgae Using ].

Huan Jing Ke Xue 2017 Feb;38(2):688-696

School of Civil and Environmental Engineering, Harbin Institute of Technology Shenzhen Graduate School, Shenzhen 518055, China.

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http://dx.doi.org/10.13227/j.hjkx.201607217DOI Listing
February 2017

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

Eur J Med Chem 2017 Jan 17;125:784-792. Epub 2016 Sep 17.

School of Pharmaceutical Sciences, SunYat-sen University, Guangzhou 510006, China; International Joint Laboratory (SYSU-PolyU HK) of Novel Anti-dementia Drugs of Guangdong Province, Guangzhou 510006, China; National and Local United Engineering Lab of Drug Ability and New Drugs Evaluation, Sun Yat-sen University, Guangzhou 510080, China; Guangdong Province Key Laboratory of Brain Function and Disease, Zhongshan School of Medicine, Sun Yat-sen University, Guangzhou 510080, China. Electronic address:

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http://dx.doi.org/10.1016/j.ejmech.2016.09.052DOI Listing
January 2017

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

J Nat Prod 2017 01 17;80(1):53-60. Epub 2017 Jan 17.

Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-sen University , Guangzhou 510006, People's Republic of China.

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http://dx.doi.org/10.1021/acs.jnatprod.6b00415DOI Listing
January 2017

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

Org Lett 2016 12 22;18(23):6132-6135. Epub 2016 Nov 22.

Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-sen University , Guangzhou 510006, People's Republic of China.

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http://dx.doi.org/10.1021/acs.orglett.6b03142DOI Listing
December 2016

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

J Nat Prod 2016 Dec 30;79(12):3014-3021. Epub 2016 Nov 30.

Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-sen University , Guangzhou 510006, People's Republic of China.

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http://pubs.acs.org/doi/10.1021/acs.jnatprod.6b00558
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http://dx.doi.org/10.1021/acs.jnatprod.6b00558DOI Listing
December 2016

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

J Med Chem 2016 10 22;59(19):9262-9268. Epub 2016 Sep 22.

Natural Products Research Laboratories, UNC Eshelman School of Pharmacy, University of North Carolina , Chapel Hill, North Carolina 27599-7568, United States.

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http://dx.doi.org/10.1021/acs.jmedchem.6b00461DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5151175PMC
October 2016

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

J Struct Biol 2016 09 13;195(3):306-315. Epub 2016 Jul 13.

Research Center for Structural Biology and Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou 510006, China. Electronic address:

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http://dx.doi.org/10.1016/j.jsb.2016.07.008DOI Listing
September 2016

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

Bioinformatics 2016 06 28;32(11):1752-4. Epub 2016 Jan 28.

Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou 510006, China.

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http://dx.doi.org/10.1093/bioinformatics/btw055DOI Listing
June 2016

Anti-inflammatory neolignans from the roots of Magnolia officinalis.

Bioorg Med Chem 2016 Apr 27;24(7):1439-45. Epub 2016 Jan 27.

School of Pharmacy, National Cheng Kung University Hospital, College of Medicine, National Cheng Kung University, Tainan 701, Taiwan, ROC; Department of Pharmacy, Tajen University, Pintung 907, Taiwan, ROC. Electronic address:

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http://dx.doi.org/10.1016/j.bmc.2016.01.049DOI Listing
April 2016

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

J Nat Prod 2016 Mar 12;79(3):578-83. Epub 2016 Jan 12.

Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-sen University , Guangzhou 510006, People's Republic of China.

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http://dx.doi.org/10.1021/acs.jnatprod.5b01012DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4808429PMC
March 2016

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

Chem Commun (Camb) 2016 Jan;52(6):1286-9

School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou 510006, China.

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http://dx.doi.org/10.1039/c5cc07890cDOI Listing
January 2016

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

Sci Rep 2016 Jan 6;6:18987. Epub 2016 Jan 6.

Research Center for Drug Discovery &Institute of Human Virology, School of Pharmaceutical Sciences, Sun Yat-Sen University, Guangzhou, 510006, China.

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http://dx.doi.org/10.1038/srep18987DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4702177PMC
January 2016

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

Chem Biol Drug Des 2015 Nov 1;86(5):1121-30. Epub 2015 Jun 1.

Guangdong Metabolic Diseases Research Center of Integrated Chinese and Western Medicine, Guangdong TCM Key Laboratory against Metabolic Diseases, Guangzhou Higher Education Mega Centre, Guangdong Pharmaceutical University, Guangzhou, 510006, China.

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http://dx.doi.org/10.1111/cbdd.12581DOI Listing
November 2015

Anti-osmotic and antioxidant activities of gigantol from Dendrobium aurantiacum var. denneanum against cataractogenesis in galactosemic rats.

J Ethnopharmacol 2015 Aug 25;172:238-46. Epub 2015 Jun 25.

School of Basic Medical Sciences, Guangzhou University of Chinese Medicine, Guangzhou 510006, PR China; Antioxidants Research Laboratory, Jean Mayer USDA Human Nutrition Research Center on Aging, Tufts University, Boston, MA 02111, USA. Electronic address:

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http://dx.doi.org/10.1016/j.jep.2015.06.034DOI Listing
August 2015

3,5-Diarylpyrazole Derivatives Obtained by Ammonolysis of the Total Flavonoids from Chrysanthemum indicum Extract Show Potential for the Treatment of Alzheimer's Disease.

J Nat Prod 2015 Jul 23;78(7):1593-9. Epub 2015 Jun 23.

†Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou 510006, People's Republic of China.

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http://dx.doi.org/10.1021/acs.jnatprod.5b00156DOI Listing
July 2015

Three new polyunsaturated lipids from a Guangxi marine sponge Haliclona sp.

J Asian Nat Prod Res 2015 1;17(2):114-9. Epub 2014 Dec 1.

a Research Center of Basic Medical Sciences, Tianjin Key Laboratory on Technologies Enabling Development Clinical Therapeutics and Diagnostics (Theranostics), School of Pharmacy, Tianjin Medical University , Tianjin 300070 , China.

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http://dx.doi.org/10.1080/10286020.2014.985769DOI Listing
June 2015

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

Mol Biosyst 2015 May;11(5):1241-50

Research Center for Drug Discovery & Institute of Human Virology, School of Pharmaceutical Sciences, Sun Yat-Sen University, Guangzhou 510006, China.

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http://dx.doi.org/10.1039/c4mb00718bDOI Listing
May 2015

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

Org Biomol Chem 2015 Apr;13(16):4714-26

Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou 510006, People's Republic of China.

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http://dx.doi.org/10.1039/c5ob00007fDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4390547PMC
April 2015

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

J Nat Prod 2015 Mar 3;78(3):500-9. Epub 2015 Feb 3.

†Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou 510006, People's Republic of China.

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http://dx.doi.org/10.1021/np500988mDOI Listing
March 2015

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

Mol Divers 2015 Feb 2;19(1):123-34. Epub 2014 Oct 2.

School of Pharmaceutical Sciences & Institute of Human Virology, Sun Yat-Sen University, 132 East Circle Road at University City, Guangzhou, 510006, China.

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http://dx.doi.org/10.1007/s11030-014-9552-4DOI Listing
February 2015

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

PLoS One 2014 12;9(5):e95221. Epub 2014 May 12.

Research Center for Drug Discovery & Institute of Human Virology, School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou, China.

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http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0095221PLOS
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4018356PMC
January 2015

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

RSC Adv 2015 Jan 14;5(130):107904-107915. Epub 2015 Dec 14.

Department of Biomedical and Pharmaceutical Sciences, College of Pharmacy, University of Rhode Island, Kingston, RI 02881, USA.

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http://dx.doi.org/10.1039/C5RA19014BDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4792293PMC
January 2015

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

Mol Divers 2014 Nov 26;18(4):841-52. Epub 2014 Aug 26.

Research Center for Drug Discovery & Institute of Human Virology, School of Pharmaceutical Sciences, Sun Yat-Sen University, Guangzhou, 510006, China.

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http://dx.doi.org/10.1007/s11030-014-9543-5DOI Listing
November 2014

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

Mol Divers 2014 Nov 3;18(4):829-40. Epub 2014 Sep 3.

Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-sen University, 132 East Circle at University City, Guangzhou, 510006, China.

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http://dx.doi.org/10.1007/s11030-014-9545-3DOI Listing
November 2014

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

J Chem Inf Model 2014 Nov 11;54(11):3186-97. Epub 2014 Nov 11.

Research Center for Drug Discovery and Institute of Human Virology, School of Pharmaceutical Sciences, Sun Yat-Sen University , Guangzhou 510006, China.

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http://dx.doi.org/10.1021/ci500253qDOI Listing
November 2014

Synthesis and characterization of 1H-phenanthro[9,10-d]imidazole derivatives as multifunctional agents for treatment of Alzheimer's disease.

Biochim Biophys Acta 2014 Sep 10;1840(9):2886-903. Epub 2014 May 10.

School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou University City, 132 Waihuan East Road, Guangzhou 510006, PR China. Electronic address:

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http://dx.doi.org/10.1016/j.bbagen.2014.05.005DOI Listing
September 2014

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

J Comput Aided Mol Des 2014 Sep 17;28(9):941-50. Epub 2014 Jul 17.

Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-sen University, 132 East Circle at University City, Guangzhou, 510006, China.

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http://dx.doi.org/10.1007/s10822-014-9778-3DOI Listing
September 2014

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

Nat Prod Res 2013 29;27(22):2157-60. Epub 2013 Apr 29.

a School of Pharmaceutical Sciences, Sun Yat-sen University , Guangzhou , China.

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http://dx.doi.org/10.1080/14786419.2013.790031DOI Listing
August 2014

Optimal service distribution in WSN service system subject to data security constraints.

Sensors (Basel) 2014 Aug 4;14(8):14180-209. Epub 2014 Aug 4.

School of Mathematics and Computer Science, Hubei University of Arts and Science, Xiangyang 441053, China.

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http://dx.doi.org/10.3390/s140814180DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4179062PMC
August 2014

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

J Comput Chem 2014 Jun 12;35(15):1122-30. Epub 2014 Apr 12.

Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-sen University, 132 East Circle at University City, Guangzhou, Guangdong, 510006, China.

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http://dx.doi.org/10.1002/jcc.23603DOI Listing
June 2014

Drug discovery inspired by mother nature: seeking natural biochemotypes and the natural assembly rules of the biochemome.

J Pharm Pharm Sci 2013 ;16(2):331-41

Research Center for Drug Discovery, School of Pharmaceutical Sciences, and Institute of Human Virology, Sun Yat-Sen University, 132 East Circle at University City, Guangzhou, China.

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March 2014

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

J Nat Prod 2014 Jan 20;77(1):100-10. Epub 2013 Dec 20.

Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-sen University , Guangzhou 510006, People's Republic of China.

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http://dx.doi.org/10.1021/np400757kDOI Listing
January 2014

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

Biochem Pharmacol 2013 Dec 30;86(12):1775-83. Epub 2013 Sep 30.

Department of Orthopaedic Surgery, The First Affiliated Hospital of Guangxi Medical University, Guangxi 530021, China; School of Pathology and Laboratory Medicine, The University of Western Australia, Crawley 6009, Western Australia, Australia; Centre for Orthopaedic Research, School of Surgery, The University of Western Australia, Crawley 6009, Western Australia, Australia.

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http://dx.doi.org/10.1016/j.bcp.2013.09.017DOI Listing
December 2013

Molecular dynamics-based virtual screening: accelerating the drug discovery process by high-performance computing.

J Chem Inf Model 2013 Oct 18;53(10):2757-64. Epub 2013 Sep 18.

School of Pharmaceutical Sciences & Institute of Human Virology, Sun Yat-Sen University , 132 East Circle Road at University City, Guangzhou 510006, China.

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http://dx.doi.org/10.1021/ci400391sDOI Listing
October 2013

Discovery of new selective human aldose reductase inhibitors through virtual screening multiple binding pocket conformations.

J Chem Inf Model 2013 Sep 26;53(9):2409-22. Epub 2013 Aug 26.

Research Center for Drug Discovery & Institute of Human Virology, School of Pharmaceutical Sciences, Sun Yat-Sen University , Guangzhou 510006, China.

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http://pubs.acs.org/doi/10.1021/ci400322j
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http://dx.doi.org/10.1021/ci400322jDOI Listing
September 2013

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

Mol Divers 2013 Aug 24;17(3):515-24. Epub 2013 May 24.

Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-Sen University, Guangzhou, 510006, China.

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http://dx.doi.org/10.1007/s11030-013-9452-zDOI Listing
August 2013

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

Mol Divers 2013 May 13;17(2):371-82. Epub 2013 Apr 13.

State Key Laboratory of Food Science and Technology, Jiangnan University, Wuxi 214122, People's Republic of China.

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http://dx.doi.org/10.1007/s11030-013-9437-yDOI Listing
May 2013

Syringic Acid Extracted from Herba dendrobii Prevents Diabetic Cataract Pathogenesis by Inhibiting Aldose Reductase Activity.

Evid Based Complement Alternat Med 2012 29;2012:426537. Epub 2012 Dec 29.

School of Basic Medical Sciences, Guangzhou University of Chinese Medicine, Guangzhou 510006, China.

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http://dx.doi.org/10.1155/2012/426537DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3545393PMC
February 2013

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

Mol Divers 2012 Nov 19;16(4):759-69. Epub 2012 Oct 19.

School of Pharmaceutical Sciences & Institute of HumanVirology, Sun Yat-sen University, Guangzhou 510006, China.

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http://dx.doi.org/10.1007/s11030-012-9403-0DOI Listing
November 2012

A structure-similarity-based software for the cardiovascular toxicity prediction of traditional chinese medicine.

Bioinformation 2012 20;8(2):110-3. Epub 2012 Jan 20.

Research Center for Drug Discovery & Institute of Human Virology, School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou 510006, China.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3282267PMC
http://dx.doi.org/10.6026/973206300080110DOI Listing
August 2012

[Study on anti-cataract effect of gigantol combined with syringic acid and their mechanism].

Zhongguo Zhong Yao Za Zhi 2012 Aug;37(16):2429-34

Guangzhou University of Traditional Chinese Medicine, Guangzhou 510006, China.

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August 2012

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

J Chem Inf Model 2012 May 8;52(5):1356-66. Epub 2012 May 8.

School of Pharmaceutical Sciences & Institute of Human Virology, Sun Yat-sen University, Guangzhou, China 510006.

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http://dx.doi.org/10.1021/ci300067qDOI Listing
May 2012

Three-dimensional pharmacophore modeling of liver-X receptor agonists.

J Chem Inf Model 2011 Sep 24;51(9):2147-55. Epub 2011 Mar 24.

Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-Sen University, Guangzhou, China.

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http://dx.doi.org/10.1021/ci100511vDOI Listing
September 2011

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

Molecules 2011 Sep 7;16(9):7649-61. Epub 2011 Sep 7.

National Research Center of Engineering Technology For Utilization of Functional Ingredients From Botanicals, College of Horticulture and Landscape Architecture, Hunan Agricultural University, Changsha 410128, Hunan, China.

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http://dx.doi.org/10.3390/molecules16097649DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6264335PMC
September 2011

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.

Neurosci Lett 2010 Nov 18;485(2):83-8. Epub 2010 Aug 18.

Department of Neurology, The First Affiliated Hospital, Sun Yat-sen University, Guangzhou 510080, People's Republic of China.

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http://dx.doi.org/10.1016/j.neulet.2010.08.035DOI Listing
November 2010

Selecting diversified compounds to build a tangible library for biological and biochemical assays.

Molecules 2010 Jul 23;15(7):5031-44. Epub 2010 Jul 23.

Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-Sen University, 132 East Circle at University City, Guangzhou, 510006, China.

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http://dx.doi.org/10.3390/molecules15075031DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6257665PMC
July 2010

Anti-influenza agents from Traditional Chinese Medicine.

Nat Prod Rep 2010 Jan 13;27(12):1758-80. Epub 2010 Oct 13.

Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-Sen University, 132 East Circle Road at University City, Guangzhou, 510006, China.

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http://dx.doi.org/10.1039/c0np00005aDOI Listing
January 2010

One new dihydrobenzofuran lignan from Vitex trifolia.

J Asian Nat Prod Res 2008 May-Jun;10(5-6):499-502

Kunming Institute of Botany, Chinese Academy of Sciences, Kunming, China.

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http://dx.doi.org/10.1080/10286020801967359DOI Listing
September 2008

Anti-HIV-1 activities of compounds isolated from the medicinal plant Rhus chinensis.

J Ethnopharmacol 2008 May 9;117(2):249-56. Epub 2008 Feb 9.

Laboratory of Molecular Immunopharmacology, Key Laboratory of Animal Models and Human Disease Mechanisms, Kunming Institute of Zoology, Chinese Academy of Sciences, Kunming, Yunnan 650223, China.

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http://dx.doi.org/10.1016/j.jep.2008.01.037DOI Listing
May 2008

Two new compounds and anti-HIV active constituents from Illicium verum.

Planta Med 2007 Apr 29;73(4):372-5. Epub 2007 Mar 29.

State Key Laboratory of Phytochemistry and Plant Resources in West China, Kunming Institute of Botany, Chinese Academy of Sciences, Kunming, Yunnan, P. R. China.

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http://dx.doi.org/10.1055/s-2007-967162DOI Listing
April 2007

A new benzofuranone and anti-HIV constituents from the stems of Rhus chinensis.

Planta Med 2007 Mar 9;73(3):279-82. Epub 2007 Feb 9.

State Key Laboratory of Phytochemistry and Plant Resources in West China, Kunming Institute of Botany, Chinese Academy of Sciences, Kunming, P. R. China.

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https://www.thieme-connect.com/products/ejournals/pdf/10.105
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March 2007

[Studies on chemical constituents from leaves of Isatis indigotica].

Zhongguo Zhong Yao Za Zhi 2006 Dec;31(23):1961-5

State Key Labortatory of Phytochemistry and Plant Resources in West China, Kunming Institute of Botany, the Chinese Academy of Sciences, Kunming 650204, China.

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December 2006

Anti-HIV-1 activities of extracts from the medicinal plant Rhus chinensis.

J Ethnopharmacol 2006 Apr 20;105(1-2):269-73. Epub 2005 Dec 20.

Laboratory of Molecular Immunopharmacology, Kunming Institute of Zoology, Chinese Academy of Sciences, Kunming, Yunnan 650223, China.

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http://dx.doi.org/10.1016/j.jep.2005.11.008DOI Listing
April 2006