List of works - Andrew D. Mesecar

A 2.2 Å resolution structure of the USP7 catalytic domain in a new space group elaborates upon structural rearrangements resulting from ubiquitin binding

scientific article

A chimeric virus-mouse model system for evaluating the function and inhibition of papain-like proteases of emerging coronaviruses

scientific article

A mouse model for Betacoronavirus subgroup 2c using a bat coronavirus strain HKU5 variant

scientific article

A new model for protein stereospecificity

scientific article

A noncovalent class of papain-like protease/deubiquitinase inhibitors blocks SARS virus replication

scientific article

A universal, fully automated high throughput screening assay for pyrophosphate and phosphate release from enzymatic reactions

scientific article published in January 2010

Absorption and subcellular localization of lycopene in human prostate cancer cells.

scientific article published in November 2006

Active Site Loop Dynamics of a Class IIa Fructose 1,6-Bisphosphate Aldolase from Mycobacterium tuberculosis

scientific article

Activity-guided isolation of cytotoxic constituents from the bark of Aglaia crassinervia collected in Indonesia

scientific article published in February 2006

Activity-guided isolation of novel norwithanolides from depreasubtriflora with potential cancer chemopreventive activity

scientific article published in March 2003

An ELISA method to measure inhibition of the COX enzymes

scientific article published on January 2006

Antimycobacterial Naphthopyrones from Senna obliqua.

scientific article published in February 2004

Bioactive compounds from the fern Lepisorus contortus ⬇️

scientific article

Bioactive constituents of the seeds of Brucea javanica

scientific article published in August 2002

Black cohosh acts as a mixed competitive ligand and partial agonist of the serotonin receptor.

scientific article

Bruguiesulfurol, a new sulfur compound from Bruguiera gymnorrhiza

scientific article published on February 2006

Catalytic function and substrate specificity of the papain-like protease domain of nsp3 from the Middle East respiratory syndrome coronavirus

scientific article

Catechol estrogen 4-hydroxyequilenin is a substrate and an inhibitor of catechol-O-methyltransferase.

scientific article

Characterization of novel rad6/ubc2 ubiquitin-conjugating enzyme mutants in yeast

scientific article published in April 2000

Chimeric exchange of coronavirus nsp5 proteases (3CLpro) identifies common and divergent regulatory determinants of protease activity

scientific article published on 11 September 2013

Constituents of Musa x paradisiaca cultivar with the potential to induce the phase II enzyme, quinone reductase.

scientific article published in October 2002

Coronaviruses resistant to a 3C-like protease inhibitor are attenuated for replication and pathogenesis, revealing a low genetic barrier but high fitness cost of resistance

scientific article

Correction to Screening Natural Products for Inhibitors of Quinone Reductase-2 Using Ultrafiltration LC–MS

article

Cul3-mediated Nrf2 ubiquitination and antioxidant response element (ARE) activation are dependent on the partial molar volume at position 151 of Keap1.

scientific article published on 29 July 2009

Design and synthesis of 2-pyridones as novel inhibitors of the Bacillus anthracis enoyl-ACP reductase.

scientific article published on 4 May 2008

Design and synthesis of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease inhibitors

scientific article

Design, synthesis, X-ray studies, and biological evaluation of novel BACE1 inhibitors with bicyclic isoxazoline carboxamides as the P3 ligand

scholarly article by Arun K Ghosh published in August 2018

Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer.

scientific article

Design, synthesis, and evaluation of oxyanion-hole selective inhibitor substituents for the S1 subsite of factor Xa.

scientific article published in October 2004

Design, synthesis, biological and structural evaluation of functionalized resveratrol analogues as inhibitors of quinone reductase 2.

scientific article

Determinants of Allosteric Activation of Yeast Pyruvate Kinase and Identification of Novel Effectors Using Computational Screening†

article

Deubiquitinating Activity of the SARS-CoV Papain-Like Protease

scientific article published on 01 January 2006

Deubiquitinating and interferon antagonism activities of coronavirus papain-like proteases.

scientific article

Development and validation of a yeast high-throughput screen for inhibitors of Aβ₄₂ oligomerization

scientific article

Development of an Efficient Enzyme Production and Structure-Based Discovery Platform for BACE1 Inhibitors

scientific article published on 22 October 2019

Development of an efficient E. coli expression and purification system for a catalytically active, human Cullin3-RINGBox1 protein complex and elucidation of its quaternary structure with Keap1.

scientific article

Discovery of N-(benzo[1,2,3]triazol-1-yl)-N-(benzyl)acetamido)phenyl) carboxamides as severe acute respiratory syndrome coronavirus (SARS-CoV) 3CLpro inhibitors: Identification of ML300 and noncovalent nanomolar inhibitors with an induced-fit binding

scientific article

Discovery of SARS-CoV-2 antiviral drugs through large-scale compound repurposing

scientific article published on 24 July 2020

Discovery of a Novel Inhibitor of Coronavirus 3CL Protease as a Clinical Candidate for the Potential Treatment of COVID-19

scientific article published on 13 September 2020

Discovery, synthesis, and structure-based optimization of a series of N-(tert-butyl)-2-(N-arylamido)-2-(pyridin-3-yl) acetamides (ML188) as potent noncovalent small molecule inhibitors of the severe acute respiratory syndrome coronavirus [...]

scientific article

Enzyme Architecture: The Effect of Replacement and Deletion Mutations of Loop 6 on Catalysis by Triosephosphate Isomerase

scientific article

Equine catechol estrogen 4-hydroxyequilenin is a more potent inhibitor of the variant form of catechol-O-methyltransferase

scientific article published in April 2004

Evaluating the 3C-like protease activity of SARS-Coronavirus: recommendations for standardized assays for drug discovery.

scientific article published on 29 March 2007

GABAergic phthalide dimers from Angelica sinensis (Oliv.) Diels

scientific article published on 01 November 2006

Genetic interaction between yeast Saccharomyces cerevisiae release factors and the decoding region of 18 S rRNA.

scientific article

Identification of a Glycogen Synthase Kinase‐3β Inhibitor that Attenuates Hyperactivity in CLOCK Mutant Mice ⬇️

scientific article published on July 5, 2011

Identification of the highly reactive cysteine 151 in the chemopreventive agent-sensor Keap1 protein is method-dependent.

scientific article published on 13 October 2007

Isolation and absolute stereochemistry of coussaric acid, a new bioactive triterpenoid from the stems of Coussarea brevicaulis.

scientific article published in September 2003

Isolation and evaluation of kaempferol glycosides from the fern Neocheiropteris palmatopedata. ⬇️

scientific article

Isolation, structure elucidation, and absolute configuration of 26-deoxyactein from Cimicifuga racemosa and clarification of nomenclature associated with 27-deoxyactein

scientific article published in April 2002

Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2

scientific article

Kinetic, thermodynamic, and structural insight into the mechanism of phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis

scientific article

Lamiridosins, hepatitis C virus entry inhibitors from Lamium album.

scientific article published in December 2009

Ligand-induced Dimerization of Middle East Respiratory Syndrome (MERS) Coronavirus nsp5 Protease (3CLpro): IMPLICATIONS FOR nsp5 REGULATION AND THE DEVELOPMENT OF ANTIVIRALS.

scientific article published on 8 June 2015

MERS-CoV papain-like protease has deISGylating and deubiquitinating activities

scientific article published on 22 December 2013

Metal-ion-mediated allosteric triggering of yeast pyruvate kinase. 1. A multidimensional kinetic linked-function analysis

scientific article published in June 1997

Millisecond Laue structures of an enzyme-product complex using photocaged substrate analogs

scientific article

Modifying specific cysteines of the electrophile-sensing human Keap1 protein is insufficient to disrupt binding to the Nrf2 domain Neh2

scientific article

Molecular mechanisms of natural products in chemoprevention: induction of cytoprotective enzymes by Nrf2.

scientific article published on June 2008

Murine coronavirus ubiquitin-like domain is important for papain-like protease stability and viral pathogenesis

scientific article

Natural product leads for drug discovery: isolation, synthesis and biological evaluation of 6-cyano-5-methoxyindolo[2,3-a]carbazole based ligands as antibacterial agents ⬇️

scientific article published on 4 September 2009

New 3-O-acyl betulinic acids from Strychnos vanprukii Craib

scientific article published on June 2004

New Sesquiterpenes from Litsea verticillata

scientific article published on May 2003

New chemical constituents of Euphorbia quinquecostata and absolute configuration assignment by a convenient Mosher ester procedure carried out in NMR tubes.

scientific article

New manzamine alkaloids with activity against infectious and tropical parasitic diseases from an Indonesian sponge. ⬇️

scientific article

Nidovirus papain-like proteases: multifunctional enzymes with protease, deubiquitinating and deISGylating activities

scientific article

Orbital steering in the catalytic power of enzymes: small structural changes with large catalytic consequences

scientific article

P2-350: Yeast cell–based genetic and chemical screens for inhibitors of Aβ42 oligomerization

Phosphorylation of serine 256 suppresses transactivation by FKHR (FOXO1) by multiple mechanisms. Direct and indirect effects on nuclear/cytoplasmic shuttling and DNA binding

scientific article

Pleiotropic mechanisms facilitated by resveratrol and its metabolites.

scientific article published on July 2010

Potential cancer chemopreventive constituents of the seeds of Dipteryx odorata (tonka bean).

scientific article published in May 2003

Potential chemopreventive agents based on the structure of the lead compound 2-bromo-1-hydroxyphenazine, isolated from Streptomyces species, strain CNS284 ⬇️

scientific article

Probing the structural requirements of non-electrophilic naphthalene-based Nrf2 activators.

scientific article

Progress in Anti-SARS Coronavirus Chemistry, Biology and Chemotherapy.

scientific article published on February 2007

Prospective type 1 and type 2 disulfides of Keap1 protein.

scientific article

Proteolytic processing and deubiquitinating activity of papain-like proteases of human coronavirus NL63

scientific article published on 28 March 2007

Regioselective covalent modification of hemoglobin in search of antisickling agents

scientific article published in March 2003

Role of Lysine 240 in the Mechanism of Yeast Pyruvate Kinase Catalysis†

scientific article published on 01 July 1999

Screening for natural chemoprevention agents that modify human Keap1.

scientific article

Screening method for the discovery of potential cancer chemoprevention agents based on mass spectrometric detection of alkylated Keap1.

scientific article

Screening natural products for inhibitors of quinone reductase-2 using ultrafiltration LC-MS

scientific article

Severe Acute Respiratory Syndrome Coronavirus Papain-like Novel Protease Inhibitors: Design, Synthesis, Protein−Ligand X-ray Structure and Biological Evaluation

scientific article

Severe acute respiratory syndrome coronavirus papain-like protease ubiquitin-like domain and catalytic domain regulate antagonism of IRF3 and NF-kappaB signaling

scientific article published on 15 April 2009

Silvestrol and Episilvestrol, Potential Anticancer Rocaglate Derivatives fromAglaia silvestris

Silvestrol and episilvestrol, potential anticancer rocaglate derivatives from Aglaia silvestris

scientific article

Steady-state kinetic studies reveal that the anti-cancer target Ubiquitin-Specific Protease 17 (USP17) is a highly efficient deubiquitinating enzyme

scientific article published on 15 October 2016

Structural Basis for Catalysis of a Tetrameric Class IIa Fructose 1,6-Bisphosphate Aldolase from Mycobacterium tuberculosis

scientific article

Structural Basis for the Ubiquitin-Linkage Specificity and deISGylating Activity of SARS-CoV Papain-Like Protease

scientific article

Structural and functional analysis of two glutamate racemase isozymes from Bacillus anthracis and implications for inhibitor design

scientific article

Structural and mutational studies of organophosphorus hydrolase reveal a cryptic and functional allosteric-binding site

scientific article published on 6 September 2005

Structural basis for thermostability revealed through the identification and characterization of a highly thermostable phosphotriesterase-like lactonase from Geobacillus stearothermophilus

scientific article

Structure ofMycobacterium tuberculosisphosphopantetheine adenylyltransferase in complex with the feedback inhibitor CoA reveals only one active-site conformation

scientific article

Structure-Guided Mutagenesis Alters Deubiquitinating Activity and Attenuates Pathogenesis of a Murine Coronavirus

scientific article published on 26 September 2019

Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans

scientific article

Structure-based design, synthesis and biological evaluation of novel β-secretase inhibitors containing a pyrazole or thiazole moiety as the P3 ligand

scientific article

Structure-based design, synthesis, and biological evaluation of a series of novel and reversible inhibitors for the severe acute respiratory syndrome-coronavirus papain-like protease

scientific article published in August 2009

Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors

scientific article

Synthesis of 3-(3-aryl-pyrrolidin-1-yl)-5-aryl-1,2,4-triazines that have antibacterial activity and also inhibit inorganic pyrophosphatase

scientific article

Synthesis of novel МТ3 receptor ligands via an unusual Knoevenagel condensation

scientific article

Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4--The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS)

scientific article

The allosteric regulation of pyruvate kinase by fructose-1,6-bisphosphate

scientific article

The papain-like protease of severe acute respiratory syndrome coronavirus has deubiquitinating activity

scientific article published on December 2005

The structures of T87I phosphono-CheY and T87I/Y106W phosphono-CheY help to explain their binding affinities to the FliM and CheZ peptides

scientific article

Use of molecular modeling, docking, and 3D-QSAR studies for the determination of the binding mode of benzofuran-3-yl-(indol-3-yl)maleimides as GSK-3beta inhibitors

scientific article

Viral destruction of cell surface receptors.

scholarly article

X-ray Structural and Biological Evaluation of a Series of Potent and Highly Selective Inhibitors of Human Coronavirus Papain-like Proteases

scientific article

Xanthohumol isolated from Humulus lupulus Inhibits menadione-induced DNA damage through induction of quinone reductase.

scientific article published in August 2005

List of works by Andrew D. Mesecar

A 2.2 Å resolution structure of the USP7 catalytic domain in a new space group elaborates upon structural rearrangements resulting from ubiquitin binding

A chimeric virus-mouse model system for evaluating the function and inhibition of papain-like proteases of emerging coronaviruses

A mouse model for Betacoronavirus subgroup 2c using a bat coronavirus strain HKU5 variant

A new model for protein stereospecificity

A noncovalent class of papain-like protease/deubiquitinase inhibitors blocks SARS virus replication

A universal, fully automated high throughput screening assay for pyrophosphate and phosphate release from enzymatic reactions

Absorption and subcellular localization of lycopene in human prostate cancer cells.

Active Site Loop Dynamics of a Class IIa Fructose 1,6-Bisphosphate Aldolase from Mycobacterium tuberculosis

Activity-guided isolation of cytotoxic constituents from the bark of Aglaia crassinervia collected in Indonesia

Activity-guided isolation of novel norwithanolides from depreasubtriflora with potential cancer chemopreventive activity

An ELISA method to measure inhibition of the COX enzymes

Antimycobacterial Naphthopyrones from Senna obliqua.

Bioactive compounds from the fern Lepisorus contortus ⬇️

Bioactive constituents of the seeds of Brucea javanica

Black cohosh acts as a mixed competitive ligand and partial agonist of the serotonin receptor.

Bruguiesulfurol, a new sulfur compound from Bruguiera gymnorrhiza

Catalytic function and substrate specificity of the papain-like protease domain of nsp3 from the Middle East respiratory syndrome coronavirus

Catechol estrogen 4-hydroxyequilenin is a substrate and an inhibitor of catechol-O-methyltransferase.

Characterization of novel rad6/ubc2 ubiquitin-conjugating enzyme mutants in yeast

Chimeric exchange of coronavirus nsp5 proteases (3CLpro) identifies common and divergent regulatory determinants of protease activity

Constituents of Musa x paradisiaca cultivar with the potential to induce the phase II enzyme, quinone reductase.

Coronaviruses resistant to a 3C-like protease inhibitor are attenuated for replication and pathogenesis, revealing a low genetic barrier but high fitness cost of resistance

Correction to Screening Natural Products for Inhibitors of Quinone Reductase-2 Using Ultrafiltration LC–MS

Cul3-mediated Nrf2 ubiquitination and antioxidant response element (ARE) activation are dependent on the partial molar volume at position 151 of Keap1.

Design and synthesis of 2-pyridones as novel inhibitors of the Bacillus anthracis enoyl-ACP reductase.

Design and synthesis of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease inhibitors

Design, synthesis, X-ray studies, and biological evaluation of novel BACE1 inhibitors with bicyclic isoxazoline carboxamides as the P3 ligand

Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer.

Design, synthesis, and evaluation of oxyanion-hole selective inhibitor substituents for the S1 subsite of factor Xa.

Design, synthesis, biological and structural evaluation of functionalized resveratrol analogues as inhibitors of quinone reductase 2.

Determinants of Allosteric Activation of Yeast Pyruvate Kinase and Identification of Novel Effectors Using Computational Screening†

Deubiquitinating Activity of the SARS-CoV Papain-Like Protease

Deubiquitinating and interferon antagonism activities of coronavirus papain-like proteases.

Development and validation of a yeast high-throughput screen for inhibitors of Aβ₄₂ oligomerization

Development of an Efficient Enzyme Production and Structure-Based Discovery Platform for BACE1 Inhibitors

Development of an efficient E. coli expression and purification system for a catalytically active, human Cullin3-RINGBox1 protein complex and elucidation of its quaternary structure with Keap1.

Discovery of N-(benzo[1,2,3]triazol-1-yl)-N-(benzyl)acetamido)phenyl) carboxamides as severe acute respiratory syndrome coronavirus (SARS-CoV) 3CLpro inhibitors: Identification of ML300 and noncovalent nanomolar inhibitors with an induced-fit binding

Discovery of SARS-CoV-2 antiviral drugs through large-scale compound repurposing

Discovery of a Novel Inhibitor of Coronavirus 3CL Protease as a Clinical Candidate for the Potential Treatment of COVID-19

Discovery, synthesis, and structure-based optimization of a series of N-(tert-butyl)-2-(N-arylamido)-2-(pyridin-3-yl) acetamides (ML188) as potent noncovalent small molecule inhibitors of the severe acute respiratory syndrome coronavirus [...]

Enzyme Architecture: The Effect of Replacement and Deletion Mutations of Loop 6 on Catalysis by Triosephosphate Isomerase

Equine catechol estrogen 4-hydroxyequilenin is a more potent inhibitor of the variant form of catechol-O-methyltransferase

Evaluating the 3C-like protease activity of SARS-Coronavirus: recommendations for standardized assays for drug discovery.

GABAergic phthalide dimers from Angelica sinensis (Oliv.) Diels

Genetic interaction between yeast Saccharomyces cerevisiae release factors and the decoding region of 18 S rRNA.

Identification of a Glycogen Synthase Kinase‐3β Inhibitor that Attenuates Hyperactivity in CLOCK Mutant Mice ⬇️

Identification of the highly reactive cysteine 151 in the chemopreventive agent-sensor Keap1 protein is method-dependent.

Isolation and absolute stereochemistry of coussaric acid, a new bioactive triterpenoid from the stems of Coussarea brevicaulis.

Isolation and evaluation of kaempferol glycosides from the fern Neocheiropteris palmatopedata. ⬇️

Isolation, structure elucidation, and absolute configuration of 26-deoxyactein from Cimicifuga racemosa and clarification of nomenclature associated with 27-deoxyactein

Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2

Kinetic, thermodynamic, and structural insight into the mechanism of phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis

Lamiridosins, hepatitis C virus entry inhibitors from Lamium album.

Ligand-induced Dimerization of Middle East Respiratory Syndrome (MERS) Coronavirus nsp5 Protease (3CLpro): IMPLICATIONS FOR nsp5 REGULATION AND THE DEVELOPMENT OF ANTIVIRALS.

MERS-CoV papain-like protease has deISGylating and deubiquitinating activities

Metal-ion-mediated allosteric triggering of yeast pyruvate kinase. 1. A multidimensional kinetic linked-function analysis

Millisecond Laue structures of an enzyme-product complex using photocaged substrate analogs

Modifying specific cysteines of the electrophile-sensing human Keap1 protein is insufficient to disrupt binding to the Nrf2 domain Neh2

Molecular mechanisms of natural products in chemoprevention: induction of cytoprotective enzymes by Nrf2.

Murine coronavirus ubiquitin-like domain is important for papain-like protease stability and viral pathogenesis

Natural product leads for drug discovery: isolation, synthesis and biological evaluation of 6-cyano-5-methoxyindolo[2,3-a]carbazole based ligands as antibacterial agents ⬇️

New 3-O-acyl betulinic acids from Strychnos vanprukii Craib

New Sesquiterpenes from Litsea verticillata

New chemical constituents of Euphorbia quinquecostata and absolute configuration assignment by a convenient Mosher ester procedure carried out in NMR tubes.

New manzamine alkaloids with activity against infectious and tropical parasitic diseases from an Indonesian sponge. ⬇️

Nidovirus papain-like proteases: multifunctional enzymes with protease, deubiquitinating and deISGylating activities

Orbital steering in the catalytic power of enzymes: small structural changes with large catalytic consequences

P2-350: Yeast cell–based genetic and chemical screens for inhibitors of Aβ42 oligomerization

Phosphorylation of serine 256 suppresses transactivation by FKHR (FOXO1) by multiple mechanisms. Direct and indirect effects on nuclear/cytoplasmic shuttling and DNA binding

Pleiotropic mechanisms facilitated by resveratrol and its metabolites.

Potential cancer chemopreventive constituents of the seeds of Dipteryx odorata (tonka bean).

Potential chemopreventive agents based on the structure of the lead compound 2-bromo-1-hydroxyphenazine, isolated from Streptomyces species, strain CNS284 ⬇️

Probing the structural requirements of non-electrophilic naphthalene-based Nrf2 activators.

Progress in Anti-SARS Coronavirus Chemistry, Biology and Chemotherapy.

Prospective type 1 and type 2 disulfides of Keap1 protein.

Proteolytic processing and deubiquitinating activity of papain-like proteases of human coronavirus NL63

Regioselective covalent modification of hemoglobin in search of antisickling agents

Role of Lysine 240 in the Mechanism of Yeast Pyruvate Kinase Catalysis†

Screening for natural chemoprevention agents that modify human Keap1.