C. Simons

发表

Mode of action of hydrogen peroxide and other oxidizing agents: differences between liquid and gas forms.

J. Maillard, Michelle M. Finnegan, E. Linley, 2010, The Journal of antimicrobial chemotherapy.

Small‐Molecule Inhibitors Targeting Sterol 14α‐Demethylase (CYP51): Synthesis, Molecular Modelling and Evaluation Against Candida albicans

D. Kelly, S. Kelly, C. Simons, 2020, ChemMedChem.

Rere-dependent Retinoic Acid signaling controls brain asymmetry and handedness

S. Lehéricy, H. Meziane, O. Pourquié, 2019, bioRxiv.

Actions of Artemisia vulgaris extracts and isolated sesquiterpene lactones against receptors mediating contraction of guinea pig ileum and trachea.

B. Kariuki, E. Kidd, C. Simons, 2011, Journal of ethnopharmacology.

Potent CYP19 (aromatase) 1-[(benzofuran-2-yl)(phenylmethyl)pyridine, -imidazole, and -triazole inhibitors: synthesis and biological evaluation.

S. Yee, C. Simons, M. R. Saberi, 2006, Journal of medicinal chemistry.

Comparative modeling of 25-hydroxycholesterol-7α-hydroxylase (CYP7B1): ligand binding and analysis of hereditary spastic paraplegia type 5 CYP7B1 mutations

A. Brancale, C. Simons, A. Siam, 2012, Journal of Molecular Modeling.

Solid-phase synthesis of diamine and polyamine amino acid derivatives as HIV-1 tat-TAR binding inhibitors.

I. Gilbert, T. Klimkait, C. Simons, 2003, Bioorganic & medicinal chemistry.

A homology model for Clostridium difficile methionyl tRNA synthetase: active site analysis and docking interactions

C. Simons, Ehab Al-Moubarak, 2011, Journal of molecular modeling.

Design, computational studies, synthesis and in vitro antimicrobial evaluation of benzimidazole based thio-oxadiazole and thio-thiadiazole analogues

M. Wootton, C. Simons, J. Richards, 2021, BMC Chemistry.

Novel 6-Azapyrimidine-2′-Deoxy-4′-Thionucleosides: Synthesis, Biological Evaluation and Conformational Analysis

E. De Clercq, J. Balzarini, C. Simons, 1999, Antiviral chemistry & chemotherapy.

Synthesis and biological evaluation of novel cYY analogues targeting Mycobacterium tuberculosis CYP121A1

L. D. de Carvalho, A. Munro, C. Simons, 2019, Bioorganic & medicinal chemistry.

Liposomal delivery of hydrophobic RAMBAs provides good bioavailability and significant enhancement of retinoic acid signalling in neuroblastoma tumour cells

A. Di Florio, S. Eaton, S. Hart, 2020, Journal of drug targeting.

Design, synthesis and evaluation against Mycobacterium tuberculosis of azole piperazine derivatives as dicyclotyrosine (cYY) mimics.

A. Munro, C. Simons, C. Levy, 2018, Bioorganic & medicinal chemistry.

Inhibition of replication of hepatitis B virus by cytallene in vitro

Y. L. Zhu, Y. Cheng, C. Simons, 1997, Antimicrobial agents and chemotherapy.

Design and Synthesis of Imidazole and Triazole Pyrazoles as Mycobacterium Tuberculosis CYP121A1 Inhibitors

L. D. de Carvalho, A. Munro, C. Simons, 2019, ChemistryOpen.

Use of hydrogen peroxide as a biocide: new consideration of its mechanisms of biocidal action.

J. Maillard, E. Linley, S. Denyer, 2012, The Journal of antimicrobial chemotherapy.

Synthesis and CYP24 inhibitory activity of 2-substituted-3,4-dihydro-2H-naphthalen-1-one (tetralone) derivatives.

S. Yee, C. Simons, 2004, Bioorganic & medicinal chemistry letters.

Novel styryl-indoles as small molecule inhibitors of 25-hydroxyvitamin D-24-hydroxylase (CYP24A1): Synthesis and biological evaluation.

H. DeLuca, A. Brancale, C. Simons, 2014, European journal of medicinal chemistry.

Synthesis and CYP26A1 inhibitory activity of 1-[benzofuran-2-yl-(4-alkyl/aryl-phenyl)-methyl]-1H-triazoles.

S. Yee, C. Simons, M. Coogan, 2006, Bioorganic & medicinal chemistry.

Integrating Deep Neural Networks and Symbolic Inference for Organic Reactivity Prediction

Wesley Wei Qian, M. Burke, Yunan Luo, 2020 .

Synthesis and CYP24A1 inhibitory activity of (E)-2-(2-substituted benzylidene)- and 2-(2-substituted benzyl)-6-methoxy-tetralones.

A. Brancale, Glenville Jones, C. Simons, 2010, European journal of medicinal chemistry.

Expression of the retinoic acid catabolic enzyme CYP26B1 in the human brain to maintain signaling homeostasis

P. Morgan, A. Ross, Y. Fragoso, 2015, Brain Structure and Function.

Synthesis and CYP26A1 inhibitory activity of novel methyl 3-[4-(arylamino)phenyl]-3-(azole)-2,2-dimethylpropanoates.

A. Brancale, C. Simons, J. Armstrong, 2012, Bioorganic & medicinal chemistry.

Prospective teratology of retinoic acid metabolic blocking agents (RAMBAs) and loss of CYP26 activity.

C. Simons, P. McCaffery, 2007, Current pharmaceutical design.

Inhibition of Vitamin D3 metabolism enhances VDR signalling in androgen-independent prostate cancer cells

S. Yee, M. Campbell, C. Simons, 2006, The Journal of Steroid Biochemistry and Molecular Biology.

Nucleoside Mimetics: Their Chemistry and Biological Properties

C. Simons, 2000 .

Synthesis, molecular modelling and CYP24A1 inhibitory activity of novel of (E)-N-(2-(1H-imidazol-1-yl)-2-(phenylethyl)-3/4-styrylbenzamides.

H. DeLuca, C. Simons, Ismail M. Taban, 2017, Bioorganic & medicinal chemistry.

Benzofuran- and furan-2-yl-(phenyl)-3-pyridylmethanols: Synthesis and inhibition of P450 aromatase

Mohammed R. Saberi, C. Simons, M. R. Saberi, 2005, Journal of enzyme inhibition and medicinal chemistry.

Synthetic Methodologies for C-Nucleosides

C. Simons, Qin-pei Wu, 2004 .

Novel imidazo[1,2-c]pyrimidine base-modified nucleosides: synthesis and antiviral evaluation.

E. De Clercq, N. Kifli, J. Balzarini, 2004, Bioorganic & medicinal chemistry.

Novel retinoic acid 4-hydroxylase (CYP26) inhibitors based on a 3-(1H-imidazol- and triazol-1-yl)-2,2-dimethyl-3-(4-(phenylamino)phenyl)propyl scaffold.

A. Brancale, C. Simons, J. Armstrong, 2012, Bioorganic & medicinal chemistry.

Synthesis and biological evaluation of 3-(1H-imidazol- and triazol-1-yl)-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propyl derivatives as small molecule inhibitors of retinoic acid 4-hydroxylase (CYP26).

A. Brancale, C. Simons, J. Armstrong, 2011, Journal of medicinal chemistry.

Design and synthesis of substituted imidazole and triazole N-phenylbenzo[d]oxazolamine inhibitors of retinoic acid metabolizing enzyme CYP26

A. Brancale, C. Simons, M. Coogan, 2009 .

Novel azolyl-(phenylmethyl)]aryl/heteroarylamines: potent CYP26 inhibitors and enhancers of all-trans retinoic acid activity in neuroblastoma cells.

A. Brancale, C. Simons, J. Armstrong, 2008, Bioorganic & medicinal chemistry.

Homology Model of Human Retinoic Acid Metabolising Enzyme Cytochrome P450 26A1 (CYP26A1): Active Site Architecture and Ligand Binding

S. Yee, A. Brancale, C. Simons, 2006, Journal of enzyme inhibition and medicinal chemistry.

Synthesis of An Unusual Tetrahydrofuro[3,4-D] Oxazole Ring System

C. Simons, J. Molina, 2000 .

Synthesis and biological evaluation of novel 2-deoxy-4-thio-imidazole nucleosides.

M. Jasamai, C. Simons, M. Slater, 1999, Bioorganic & medicinal chemistry.

Analysis of the binding sites of vitamin D 1α-hydroxylase (CYP27B1) and vitamin D 24-hydroxylase (CYP24A1) for the design of selective CYP24A1 inhibitors: Homology modelling, molecular dynamics simulations and identification of key binding requirements.

H. DeLuca, C. Simons, Ismail M. Taban, 2017, Bioorganic & medicinal chemistry.

Small molecule inhibitors of retinoic acid 4-hydroxylase (CYP26): synthesis and biological evaluation of imidazole methyl 3-(4-(aryl-2-ylamino)phenyl)propanoates.

A. Brancale, C. Simons, J. Armstrong, 2011, Journal of medicinal chemistry.

Recent advances in antiviral nucleoside and nucleotide therapeutics.

T. Htar, C. Simons, Qin-pei Wu, 2005, Current topics in medicinal chemistry.

6-azapyrimidine-2'-deoxy-4'-thionucleosides: antiviral agents against TK+ and TK- HSV and VZV strains.

E. De Clercq, J. Balzarini, C. Simons, 2004, Journal of medicinal chemistry.

Synthesis and antimycobacterial activity of 7-O-substituted-4-methyl-2H-2-chromenone derivatives vs Mycobacterium tuberculosis

S. Yee, C. Simons, Binal Shah, 2005, Journal of enzyme inhibition and medicinal chemistry.

Synthesis, absolute configuration, and enantioselectivity of antiretroviral effect of (R)-(-)- and (S)-(+)-cytallene. Lipase-catalyzed enantioselective acylations of (+/-)-N4-acylcytallenes.

H. Mitsuya, C. Simons, Y. Maeda, 1995, Journal of medicinal chemistry.

PROTEINASE AND PEPTIDASE INHIBITION: recent potential targets for drug development

C. Simons, H. Smith, 2003 .

Novel tetralone-derived retinoic acid metabolism blocking agents: synthesis and in vitro evaluation with liver microsomal and MCF-7 CYP26A1 cell assays.

R. Nicholson, S. Yee, A. Brancale, 2005, Journal of medicinal chemistry.

HPLC enantiomeric resolution of novel aromatase inhibitors on cellulose- and amylose-based chiral stationary phases under reversed phase mode.

I. Ali, C. Simons, H. Aboul‐Enein, 2000, Chirality.

Synthesis, Optimization, Antifungal Activity, Selectivity, and CYP51 Binding of New 2-Aryl-3-azolyl-1-indolyl-propan-2-ols

R. Abagyan, R. Hartmann, S. Yee, 2020, Pharmaceuticals.

Novel bicyclic sugar modified nucleosides: synthesis, conformational analysis and antiviral evaluation.

E. De Clercq, N. Kifli, J. Balzarini, 2004, Bioorganic & medicinal chemistry.

Inhibitors of enzymes of androgen biosynthesis: cytochrome P45017α and 5α-steroidreductase

C. Simons, M. Jarman, Claire Simons, 1998 .

Inhibitors of steroidogenesis as agents for the treatment of hormone-dependent cancers

C. Simons, P. Nicholls, Regis Le Lain, 2001 .

Studies on the mechanisms of the antibacterial action of ortho‐phthalaldehyde

J. Maillard, C. Simons, S. Walsh, 1999, Journal of applied microbiology.

6-Azathymidine-4′-thionucleosides: synthesis and antiviral evaluation

M. Jasamai, J. Balzarini, C. Simons, 2008 .

Synthesis and Anti-HIV Activity of 5-Fluorocytallene: N-Dimethylaminomethylene as a Facilitating Group in Acetylene → Allene Isomerization

H. Mitsuya, C. Simons, S. Chokekijchai, 1994 .

Synthesis and Anti‐HIV Activity of 5‐Fluorocytallene: N‐ Dimethylaminomethylene as a Facilitating Group in Acetylene → Allene Isomerization.

H. Mitsuya, C. Simons, S. Chokekijchai, 1995 .

Synthesis of Novel 6-Azapyrimidine Acyclic Nucleoside Analogues and Antiviral Evaluation

M. Jasamai, J. Balzarini, C. Simons, 2010, Nucleosides, nucleotides & nucleic acids.

SYNTHESIS AND BIOLOGICAL EVALUATION OF PYRIDIN-2-ONE NUCLEOSIDES

J. Maillard, J. Balzarini, C. Simons, 2001, Nucleosides, nucleotides & nucleic acids.

Novel triazole 2'-deoxy-4'-thionucleosides: stereoselective synthesis and biological evaluation.

M. Jasamai, C. Simons, M. Slater, 1999, Nucleosides & nucleotides.

Prodrug to probe solution HFA pMDI formulation and pulmonary esterase activity.

P. Seville, P. Dickinson, C. Simons, 2000, International journal of pharmaceutics.

Exploring the binding sites of Staphylococcus aureus phenylalanine tRNA synthetase: A homology model approach.

C. Simons, E. Mantzourani, M. El-Sadek, 2017, Journal of molecular graphics & modelling.

Small-molecule inhibitors of 25-hydroxyvitamin D-24-hydroxylase (CYP24A1): synthesis and biological evaluation.

H. DeLuca, A. Brancale, C. Simons, 2014, Journal of medicinal chemistry.

Some Aryl Substituted 2-(4-Nitrophenyl)-4-oxo-4-phenylbutanoates and 3-(4-Nitrophenyl)-1-phenyl-1,4-butanediols and Related Compounds as Inhibitors of Rat Liver Microsomal Retinoic Acid Metabolising Enzymes

C. Simons, P. Nicholls, Peter Mason, 2003, Journal of enzyme inhibition and medicinal chemistry.

Some 1,2-Diphenylethane Derivatives as Inhibitors of Retinoic Acid—Metabolising Enzymes

C. Simons, P. Nicholls, P. Mason, 2003, Journal of enzyme inhibition and medicinal chemistry.

Inhibition of Retinoic Acid Metabolising Enzymes by 2-(4-aminophenylmethyl)-6-hydroxy-3,4-dihydronaphthalen-1(2H)-one and Related Compounds

C. Simons, P. Nicholls, Peter Mason, 2003, Journal of enzyme inhibition and medicinal chemistry.

Synthesis and anti-HSV activity of tricyclic penciclovir and hydroxybutylguanine derivatives

C. Simons, G. Andrei, R. Snoeck, 2019, Bioorganic & Medicinal Chemistry.

Development of Enzyme Inhibitors as Drugs

C. Simons, H. Smith, 2004 .

A NOTE: Ortho‐Phthalaldehyde: proposed mechanism of action of a new antimicrobial agent

J. Maillard, C. Simons, S. Walsh, 2000, Letters in applied microbiology.

Insights into Novel Drug Targets in Mycobacterium tuberculosis: Where Do We Stand and Where Do We Go from Here?

C. Simons, I. Salama, M. Helal, 2018, Records of Pharmaceutical and Biomedical Sciences.

Expression of the retinoic acid catabolic enzyme CYP26B1 in the human brain to maintain signaling homeostasis

P. Morgan, A. Ross, Y. Fragoso, 2015, Brain Structure and Function.

Adenine and benzimidazole-based mimics of REP-3123 as antibacterial agents against Clostridium difficile and Bacillus anthracis: Design, synthesis and biological evaluation

L. Baillie, C. Simons, S. El-Adl, 2016 .

Design, Synthesis and Microbiological Evaluation of Novel Compounds as Potential Staphylococcus aureus Phenylalanine tRNA Synthetase Inhibitors.

M. Wootton, C. Simons, A. O’Neill, 2018, Egyptian Journal of Chemistry.

Molecular Insights into Human Transmembrane Protease Serine-2 (TMPS2) Inhibitors against SARS-CoV2: Homology Modelling, Molecular Dynamics, and Docking Studies

G. ElMasry, C. Simons, Mohamed S. Nafie, 2020, Molecules.

Evaluation of 7-Hydroxy-Flavones as Inhibitors of Oestrone and Oestradiol Biosynthesis

C. Simons, P. Nicholls, A. Kirby, 2001, Journal of enzyme inhibition.

Synthesis and CYP24A1 inhibitory activity of N-(2-(1H-imidazol-1-yl)-2-phenylethyl)arylamides.

S. Yee, A. Brancale, Glenville Jones, 2010, Bioorganic & medicinal chemistry.

1-[(Benzofuran-2-yl)phenylmethyl]-triazoles and -tetrazoles - potent competitive inhibitors of aromatase.

C. Simons, P. Nicholls, M. Ahmadi, 1999, Bioorganic & medicinal chemistry letters.

Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation

A. Munro, C. Simons, C. Levy, 2017, Journal of medicinal chemistry.

Identification and biological evaluation of grapefruit oil components as potential novel efflux pump modulators in methicillin-resistant Staphylococcus aureus bacterial strains.

M. Gumbleton, C. Simons, M. Suller, 2004, Phytochemistry.

Homology model of 1α,25-dihydroxyvitamin D3 24-hydroxylase cytochrome P450 24A1 (CYP24A1): Active site architecture and ligand binding

Andrea Brancale, A. Brancale, C. Simons, 2007, The Journal of Steroid Biochemistry and Molecular Biology.

Protein Misfolding in Neurodegenerative Diseases : Mechanisms and Therapeutic Strategies

C. Simons, R. Sewell, H. Smith, 2007 .

Synthesis, computational study and biological evaluation of 9-acridinyl and 1-coumarinyl-1,2,3-triazole-4-yl derivatives as topoisomerase II inhibitors

C. Simons, A. Mohamed, A. F. Youssef, 2022, Journal of enzyme inhibition and medicinal chemistry.

Small molecule inhibitors of 25 hydroxyvitamin D 24 hydroxylase ( CYP 24 A 1 ) : synthesis and biological evaluation

Jinge, H. DeLuca, A. Brancale, 2019 .

A homology model for methionyl tRNA synthetase: active site analysis and docking interactions

C. Simons, Ehab Al-Moubarak, 2020 .

Phenylalanyl tRNA synthetase (PheRS) substrate mimics: design, synthesis, molecular dynamics and antimicrobial evaluation

M. Wootton, C. Simons, J. Richards, 2022, RSC advances.

Design and synthesis of substituted imidazole and triazole N-phenylbenzo[d]oxazolamine inhibitors of retinoic acid metabolizing enzyme CYP26.

A. Brancale, C. Simons, M. Coogan, 2009, Journal of enzyme inhibition and medicinal chemistry.

Novel styryl-indoles as small molecule inhibitors of 25-hydroxyvitamin D-24-hydroxylase (CYP24A1): Synthesis and biological evaluation.

H. DeLuca, A. Brancale, C. Simons, 2014, European journal of medicinal chemistry.

Synthesis, molecular modelling and CYP24A1 inhibitory activity of novel of (E)-N-(2-(1H-imidazol-1-yl)-2-(phenylethyl)-3/4-styrylbenzamides.

H. DeLuca, C. Simons, Ismail M. Taban, 2017, Bioorganic & medicinal chemistry.

Enzymes and their inhibition : drug development

C. Simons, H. Smith, 2005 .

The natural productome

Andrea M E Palazzolo, Claire L W Simons, Martin D Burke, 2017, Proceedings of the National Academy of Sciences.