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List of works by Junjun Liu

A De Novo Designed Esterase with p-Nitrophenyl Acetate Hydrolysis Activity

scientific article published on 13 October 2020

A highly efficient cocaine-detoxifying enzyme obtained by computational design.

scientific article published on 18 March 2014

Acetylcholinesterase Inhibitory Alkaloids from the Whole Plants of Zephyranthes carinata

scientific article published on 12 September 2017

Alkaloids with Immunosuppressive Activity from the Bark of Pausinystalia yohimbe

scientific article published on 30 July 2018

Alterbrassicicene A, a Highly Transformed Fusicoccane-Derived Diterpenoid with Potent PPAR-γ Agonistic Activity from Alternaria brassicicola

scientific article published on 10 December 2018

Alterbrassinoids A-D: Fusicoccane-Derived Diterpenoid Dimers Featuring Different Carbon Skeletons from Alternaria brassicicola

scientific article published on 01 October 2019

Amiaspochalasins A-H, Undescribed Aspochalasins with a C-21 Ester Carbonyl from Aspergillus micronesiensis

scientific article published on 25 April 2019

Anti-inflammatory butenolide derivatives from the coral-derived fungus Aspergillus terreus and structure revisions of aspernolides D and G, butyrolactone VI and 4′,8′′-diacetoxy butyrolactone VI ⬇️

scientific article

Anti-inflammatory fusicoccane-type diterpenoids from the phytopathogenic fungus Alternaria brassicicola

scientific article published on 01 November 2018

Aspergilasines A–D: Four Merocytochalasans with New Carbon Skeletons from Aspergillus flavipes QCS12

scientific article published on 07 August 2017

Asperpyridone A: An Unusual Pyridone Alkaloid Exerts Hypoglycemic Activity through the Insulin Signaling Pathway

scientific article published on 06 September 2019

Asperversiamides, Linearly Fused Prenylated Indole Alkaloids from the Marine-Derived Fungus Aspergillus versicolor

scientific article published on 17 July 2018

Bioactive Polyketide-Terpenoid Hybrids from a Soil-Derived Fungus Bipolaris zeicola

scientific article published on 15 November 2020

Bioactive polycyclic polyprenylated acylphloroglucinols from Hypericum perforatum

scientific article published on 01 November 2018

Bioassay-Guided Isolation of Antibacterial Metabolites from Emericella sp. TJ29.

scientific article published on 13 September 2017

Cytochathiazines A-C: Three Merocytochalasans with a 2 H-1,4-Thiazine Functionality from Coculture of Chaetomium globosum and Aspergillus flavipes

scientific article published on 16 October 2018

Cytotoxic butenolides and diphenyl ethers from the endophytic fungus Pestalotiopsis sp.

scientific article published on 14 December 2018

Design of High-Activity Mutants of Human Butyrylcholinesterase against (−)-Cocaine: Structural and Energetic Factors Affecting the Catalytic Efficiency ⬇️

scientific article published on October 26, 2010

Design, preparation, and characterization of high-activity mutants of human butyrylcholinesterase specific for detoxification of cocaine.

scientific article

Determination of the Bridging Ligand in the Active Site of Tyrosinase

scientific article

Determination of the protonation state of the Asp dyad: conventional molecular dynamics versus thermodynamic integration.

scientific article published on 17 February 2016

Dibrefeldins A and B, A pair of epimers representing the first brefeldin A dimers with cytotoxic activities from Penicillium janthinellum

scientific article published on 25 January 2019

Dongtingnoids A-G: Fusicoccane Diterpenoids from a Penicillium Species

scientific article published on 11 January 2019

Emeridones A-F, a Series of 3,5-Demethylorsellinic Acid-Based Meroterpenoids with Rearranged Skeletons from an Endophytic Fungus Emericella sp. TJ29

scientific article published on 14 January 2019

Fast and Reliable Thermodynamic Approach for Determining the Protonation State of the Asp Dyad

scientific article

Formation and stability of G-quadruplexes self-assembled from guanine-rich strands.

scientific article published on January 2007

Free Energies of Solvation with Surface, Volume, and Local Electrostatic Effects and Atomic Surface Tensions to Represent the First Solvation Shell

scientific article published on March 2010

Fundamental reaction mechanism and free energy profile for (-)-cocaine hydrolysis catalyzed by cocaine esterase

scientific article published on August 2009

Fundamental reaction pathway and free energy profile for hydrolysis of intracellular second messenger adenosine 3',5'-cyclic monophosphate (cAMP) catalyzed by phosphodiesterase-4.

scientific article published on 5 October 2011

Fungal Polyketides with Three Distinctive Ring Skeletons from the Fungus Penicillium canescens Uncovered by OSMAC and Molecular Networking Strategies

scientific article published on 16 March 2020

Fusaresters A-E, new γ-pyrone-containing polyketides from fungus Fusarium sp. Hungcl and structure revision of fusariumin D

scientific article published on 01 June 2019

Fusicoccane-Derived Diterpenoids from Alternaria brassicicola: Investigation of the Structure–Stability Relationship and Discovery of an IKKβ Inhibitor

scientific article published on 10 August 2018

Grayanane Diterpenoids from the Leaves of Rhododendron auriculatum and Their Analgesic Activities

scientific article published on 27 June 2019

Human microsomal prostaglandin E synthase-1 (mPGES-1) binding with inhibitors and the quantitative structure-activity correlation.

scientific article published on 4 December 2007

Incarnolides A and B, Two Schinortriterpenoids with a Tricyclo[9.2.1.02,8]tetradecane-Bridged System from Schisandra incarnata

scientific article published on 15 January 2020

Is it possible to reverse aged acetylcholinesterase inhibited by organophosphorus compounds? Insight from the theoretical study.

scientific article

Manginoids A-G: Seven Monoterpene-Shikimate-Conjugated Meroterpenoids with a Spiro Ring System from Guignardia mangiferae.

scientific article published on 17 October 2017

Modified Fusicoccane-Type Diterpenoids from Alternaria brassicicola

scientific article published on 10 June 2020

Mollebenzylanols A and B, Highly Modified and Functionalized Diterpenoids with a 9-Benzyl-8,10-dioxatricyclo[5.2.1.01,5]decane Core from Rhododendron molle

scientific article published on 13 March 2018

Most efficient cocaine hydrolase designed by virtual screening of transition states

scientific article

Parasubindoles A-G, Seven Eremophilanyl Indoles from the Whole Plant of Parasenecio albus

article

Pchaeglobolactone A, Spiropchaeglobosin A, and Pchaeglobosals A and B: Four Rearranged Cytochalasans from Chaetomium globosum P2-2-2

scientific article published on 03 December 2020

Periconiastone A, an Antibacterial Ergosterol with a Pentacyclo[8.7.0.01,5.02,14.010,15]heptadecane System from Periconia sp. TJ403-rc01

scientific article published on 03 October 2019

Phenolic C-Glycosides and Aglycones from Marine-Derived Aspergillus sp. and Their Anti-Inflammatory Activities

scientific article published on 23 April 2019

Protoilludane, Illudalane, and Botryane Sesquiterpenoids from the Endophytic Fungus Phomopsis sp. TJ507A

scientific article published on 17 May 2018

Reaction Mechanism for Cocaine Esterase-Catalyzed Hydrolyses of (+)- and (−)-Cocaine: Unexpected Common Rate-Determining Step ⬇️

scientific article published on April 12, 2011

Reaction Pathway and Free Energy Profile for Cocaine Hydrolase-Catalyzed Hydrolysis of (-)-Cocaine

scientific article

Reaction pathway and free energy profile for butyrylcholinesterase-catalyzed hydrolysis of acetylcholine

scientific article published on 22 December 2010

Reaction pathway and free energy profiles for butyrylcholinesterase-catalyzed hydrolysis of acetylthiocholine.

scientific article published on 3 February 2012

Reaction pathway and free-energy barrier for reactivation of dimethylphosphoryl-inhibited human acetylcholinesterase

scientific article published on December 2009

Rhodomollacetals A-C, PTP1B Inhibitory Diterpenoids with a 2,3:5,6-Di-seco-grayanane Skeleton from the Leaves of Rhododendron molle.

scientific article

Scapiformolactones A-I: germacrane sesquiterpenoids with an unusual Δ3-15,6-lactone moiety from Salvia scapiformis

scientific article published in November 2013

Schincalactones A and B, Two 5/5/6/11/3 Fused Schinortriterpenoids with a 13-Membered Carbon Ring System from Schisandra incarnata.

scientific article published on 10 April 2018

Spiroaspertrione A, a Bridged Spirocyclic Meroterpenoid, as a Potent Potentiator of Oxacillin against Methicillin-Resistant Staphylococcus aureus from Aspergillus sp. TJ23.

scientific article published on 21 February 2017

Structure-based rational quest for potential novel inhibitors of human HMG-CoA reductase by combining CoMFA 3D QSAR modeling and virtual screening.

scientific article published in January 2007

Talaromynoids A–E: Five New Fusicoccane Diterpenoids from the Endophytic Fungus Talaromyces sp. DC-26

The tumor inhibitor and antiangiogenic agent withaferin A targets the intermediate filament protein vimentin

scientific article

Tricyclic Polyprenylated Acylphloroglucinols from St John's Wort, Hypericum perforatum.

scientific article published on 26 April 2017

Two New Terpenoids from Talaromyces purpurogenus. ⬇️

scientific article published on 2 May 2018

Understanding microscopic binding of human microsomal prostaglandin E synthase-1 (mPGES-1) trimer with substrate PGH2 and cofactor GSH: insights from computational alanine scanning and site-directed mutagenesis

scientific article

Unexpected protonation state of Glu197 discovered from simulations of tacrine in butyrylcholinesterase

scientific article published on 01 May 2018

Why does the G117H mutation considerably improve the activity of human butyrylcholinesterase against sarin? Insights from quantum mechanical/molecular mechanical free energy calculations

scientific article published on 23 October 2012

Xylomolones A-D from the Thai Mangrove Xylocarpus moluccensis: Assignment of Absolute Stereostructures and Unveiling a Convergent Strategy for Limonoid Biosynthesis

scientific article published on 15 February 2019

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