List of works - Stanislav Gobec

(Z)-5-(4-Fluorophenyl)pent-4-enoic Acid: A Precursor for Convenient and Efficient Synthesis of the Antihypercholesterolemia Agent Ezetimibe

2,3-Diarylpropenoic acids as selective non-steroidal inhibitors of type-5 17β-hydroxysteroid dehydrogenase (AKR1C3)

scholarly article by Martin Gazvoda et al published April 2013 in European Journal of Medicinal Chemistry

4,6-Substituted-1,3,5-triazin-2(1H)-ones as monocyclic catalytic inhibitors of human DNA topoisomerase IIα targeting the ATP binding site

scientific article published on 2 July 2015

5-Benzylidenethiazolidin-4-ones as Multitarget Inhibitors of Bacterial Mur Ligases

scholarly article by Tihomir Tomašić et al published 1 February 2010 in ChemMedChem

6-Arylpyrido[2,3-d]pyrimidines as novel ATP-competitive inhibitors of bacterial D-alanine:D-alanine ligase

scientific article published in 2012

A Novel Scalable Synthesis of Pramipexole

A Simple Synthesis of Polyfunctionalized 4-Aminopyrazolidin-3-ones as ‘Aza-deoxa’ Analogs ofD-Cycloserine

scholarly article by Ana Novak et al published February 2014 in Helvetica Chimica Acta

A general synthesis of ethyl 4-aminophenyl and ethyl 4-[amino(hydroxyimino)methyl]phenyl phosphonates

A microwave-assisted nucleophilic substitution reaction on a quinoline system: the synthesis of amino analogues of nitroxoline

A new approach towards peptidosulfonamides: synthesis of potential inhibitors of bacterial peptidoglycan biosynthesis enzymes MurD and MurE

Antifungal activity of cinnamic acid derivatives involves inhibition of benzoate 4-hydroxylase (CYP53)

scientific article published on 02 January 2014

Benzene-1,3-dicarboxylic acid 2,5-dimethylpyrrole derivatives as multiple inhibitors of bacterial Mur ligases (MurC-MurF).

scientific article published on 2 June 2014

Benzoic acid derivatives with improved antifungal activity: Design, synthesis, structure-activity relationship (SAR) and CYP53 docking studies.

scientific article published on 25 June 2015

Biochemical and biological evaluation of novel potent coumarin inhibitor of 17β-HSD type 1.

scientific article published on 11 January 2011

Biochemical characterization and physiological properties of Escherichia coli UDP-N-acetylmuramate:L-alanyl-gamma-D-glutamyl-meso-diaminopimelate ligase

scientific article published on 23 March 2007

Cathepsin X cleavage of the beta2 integrin regulates talin-binding and LFA-1 affinity in T cells

scientific article published on 31 March 2011

Cinnamates and cinnamamides inhibit fungal 17beta-hydroxysteroid dehydrogenase

scientific article

Cinnamic acid derivatives induce cell cycle arrest in carcinoma cell lines.

scientific article published in August 2013

Cinnamic acid esters as potent inhibitors of fungal 17beta-hydroxysteroid dehydrogenase--a model enzyme of the short-chain dehydrogenase/reductase superfamily

scientific article

Cinnamic acids as new inhibitors of 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3).

scientific article

Cobalt-Catalyzed Cross-Coupling of Grignards with Allylic and Vinylic Bromides: Use of Sarcosine as a Natural Ligand

scholarly article by Rok Frlan et al published 24 July 2015 in Journal of Organic Chemistry

Combined liquid chromatography-tandem mass spectrometry analysis of progesterone metabolites

scientific article

Convenient syntheses of orthogonally protected aminocyclopentitols from aldopentoses

article published in 2015

Crystallization and preliminary X-ray analysis of a UDP-MurNAc-tripeptide D-alanyl-D-alanine-adding enzyme (PaMurF) from Pseudomonas aeruginosa.

scientific article published on 30 April 2013

Cytoplasmic steps of peptidoglycan biosynthesis

scientific article published on 11 February 2008

D-Glucosamine in iron-catalysed cross-coupling reactions of Grignards with allylic and vinylic bromides: application to the synthesis of a key sitagliptin precursor

Derivatives of pyrimidine, phthalimide and anthranilic acid as inhibitors of human hydroxysteroid dehydrogenase AKR1C1.

scientific article

Design and synthesis of new hydroxyethylamines as inhibitors of D-alanyl-D-lactate ligase (VanA) and D-alanyl-D-alanine ligase (DdlB).

scientific article published on 19 January 2009

Design and synthesis of novel N-benzylidenesulfonohydrazide inhibitors of MurC and MurD as potential antibacterial agents.

scientific article published on 11 January 2008

Design, Synthesis, and Biological Evaluation of 1-Benzylamino-2-hydroxyalkyl Derivatives as New Potential Disease-Modifying Multifunctional Anti-Alzheimer's Agents.

scientific article published on 18 January 2018

Design, Synthesis, and Biological Evaluation of 2-(Benzylamino-2-Hydroxyalkyl)Isoindoline-1,3-Diones Derivatives as Potential Disease-Modifying Multifunctional Anti-Alzheimer Agents.

scientific article published on 7 February 2018

Design, synthesis and biological evaluation of new phthalimide and saccharin derivatives with alicyclic amines targeting cholinesterases, beta-secretase and amyloid beta aggregation

scientific article published on 26 September 2016

Design, synthesis and evaluation of second generation MurF inhibitors based on a cyanothiophene scaffold

scientific article published on 12 December 2013

Design, synthesis and structure-activity relationships of new phosphinate inhibitors of MurD.

scientific article

Design, synthesis, and evaluation of new thiadiazole-based direct inhibitors of enoyl acyl carrier protein reductase (InhA) for the treatment of tuberculosis

scientific article published on 29 December 2014

Design, synthesis, biochemical evaluation and antimycobacterial action of phosphonate inhibitors of antigen 85C, a crucial enzyme involved in biosynthesis of the mycobacterial cell wall

scientific article published on 28 September 2006

Development of an in-vivo active reversible butyrylcholinesterase inhibitor.

scientific article published on 21 December 2016

Development of multifunctional, heterodimeric isoindoline-1,3-dione derivatives as cholinesterase and β-amyloid aggregation inhibitors with neuroprotective properties

scientific article

Development of new cathepsin B inhibitors: combining bioisosteric replacements and structure-based design to explore the structure-activity relationships of nitroxoline derivatives

scientific article

Development of screening assays and discovery of initial inhibitors of pneumococcal peptidoglycan deacetylase PgdA

article

Diazenedicarboxamides as inhibitors of D-alanine-D-alanine ligase (Ddl).

scientific article published on 17 January 2007

Discovery and kinetic evaluation of 6-substituted 4-benzylthio-1,3,5-triazin-2(1H)-ones as inhibitors of cathepsin B.

scientific article

Discovery of highly potent, nonsteroidal 17β-hydroxysteroid dehydrogenase type 1 inhibitors by virtual high-throughput screening

scientific article published in 2011

Discovery of new inhibitors of D-alanine:D-alanine ligase by structure-based virtual screening

scientific article published in December 2008

Discovery of new inhibitors of aldo-keto reductase 1C1 by structure-based virtual screening

scientific article published on 14 August 2008

Discovery of new inhibitors of the bacterial peptidoglycan biosynthesis enzymes MurD and MurF by structure-based virtual screening

scientific article published on 29 January 2009

Discovery of novel 5-benzylidenerhodanine and 5-benzylidenethiazolidine-2,4-dione inhibitors of MurD ligase

scientific article

Discovery of novel benzene 1,3-dicarboxylic acid inhibitors of bacterial MurD and MurE ligases by structure-based virtual screening approach

scientific article

Discovery of novel small-molecule compounds with selective cytotoxicity for Burkitt's lymphoma cells using 3D ligand-based virtual screening

scientific article published on 19 November 2014

Discovery, biological evaluation, and crystal structure of a novel nanomolar selective butyrylcholinesterase inhibitor

scientific article

Dual Inhibitor of MurD and MurE Ligases from Escherichia coli and Staphylococcus aureus.

scientific article

Effect of Free and in Poly(η-caprolactone) Nanoparticles Incorporated New Type 1 17β -Hydroxysteroid Dehydrogenase Inhibitors on Cancer Cells

Ellipticines and 9-acridinylamines as inhibitors of D-alanine:D-alanine ligase

scientific article

Endocrine disruptome--an open source prediction tool for assessing endocrine disruption potential through nuclear receptor binding

scientific article published on 2 April 2014

Epoxide opening with amino acids: improved synthesis of hydroxyethylamine dipeptide isosteres

Exploring the aryl esterase catalysis of paraoxonase-1 through solvent kinetic isotope effects and phosphonate-based isosteric analogues of the tetrahedral reaction intermediate

scientific article

Expression of human aldo-keto reductase 1C2 in cell lines of peritoneal endometriosis: potential implications in metabolism of progesterone and dydrogesterone and inhibition by progestins

scientific article published on 8 January 2012

False positives in the early stages of drug discovery

scientific article published on January 2010

Flavonoids and cinnamic acid derivatives as inhibitors of 17beta-hydroxysteroid dehydrogenase type 1.

scientific article

Flavonoids and cinnamic acid esters as inhibitors of fungal 17β-hydroxysteroid dehydrogenase: A synthesis, QSAR and modelling study

article

Function of the D-alanine:D-alanine ligase lid loop: a molecular modeling and bioactivity study

scientific article published on 26 July 2012

Furan-based benzene mono- and dicarboxylic acid derivatives as multiple inhibitors of the bacterial Mur ligases (MurC-MurF): experimental and computational characterization

scientific article published on 8 April 2015

Identification and characterization of the novel reversible and selective cathepsin X inhibitors.

scientific article published on 13 September 2017

Identification of Conserved Water Sites in Protein Structures for Drug Design.

scientific article published on 20 November 2017

In Silico Design and Enantioselective Synthesis of Functionalized Monocyclic 3-Amino-1-carboxymethyl-β-lactams as Inhibitors of Penicillin-Binding Proteins of Resistant Bacteria

scientific article published on 13 September 2018

In silico identification, synthesis and biological evaluation of novel tetrazole inhibitors of MurB.

scientific article published on 24 January 2018

Inhibition of D-Ala:D-Ala ligase through a phosphorylated form of the antibiotic D-cycloserine. ⬇️

scientific article published on 5 December 2017

Inhibition of endopeptidase and exopeptidase activity of cathepsin B impairs extracellular matrix degradation and tumour invasion

scientific article published on 13 November 2015

Inhibitor design strategy based on an enzyme structural flexibility: a case of bacterial MurD ligase

scientific article published on 28 April 2014

Inhibitors of aldo-keto reductases AKR1C1-AKR1C4.

scientific article published on January 2011

Inhibitors of cathepsin B.

scientific article published on January 2006

Inhibitors of the peptidoglycan biosynthesis enzymes MurA-F.

scientific article published on 02 April 2014

Intercomparison of dosimetry systems based on CaF2:Mn TL detectors

Isoindoline-1,3-dione derivatives targeting cholinesterases: design, synthesis and biological evaluation of potential anti-Alzheimer's agents

scientific article published on 9 February 2015

LiSiCA: A Software for Ligand-Based Virtual Screening and Its Application for the Discovery of Butyrylcholinesterase Inhibitors

scientific article published on 9 July 2015

Melanin is crucial for growth of the black yeast Hortaea werneckii in its natural hypersaline environment

scientific article published on 8 April 2013

Microwave-assisted synthesis of hydroxyethylamine dipeptide isosteres

Modulation of cytokine production by some phthalimido-desmuramyl dipeptides and their cytotoxicity

scientific article published on May 2004

Molecular dynamics to enhance structure-based virtual screening on cathepsin B.

scientific article published on 7 May 2015

Multiple Ligands Targeting Cholinesterases and β-Amyloid: Synthesis, Biological Evaluation of Heterodimeric Compounds with Benzylamine Pharmacophore

scientific article

MurD enzymes from different bacteria: Evaluation of inhibitors

scientific article published on 15 June 2012

MurD enzymes: some recent developments

scientific article

N-Benzoyl anthranilic acid derivatives as selective inhibitors of aldo-keto reductase AKR1C3.

scientific article published on 22 July 2012

New 5-benzylidenethiazolidin-4-one inhibitors of bacterial MurD ligase: design, synthesis, crystal structures, and biological evaluation

scientific article

New antagonists of toll-like receptor 7 discovered through 3D ligand-based virtual screening

scientific article published on 15 July 2014

New cyclopentane derivatives as inhibitors of steroid metabolizing enzymes AKR1C1 and AKR1C3.

scientific article published on 5 February 2009

New direct inhibitors of InhA with antimycobacterial activity based on a tetrahydropyran scaffold

scientific article published on 8 February 2016

New enzymatic assay for the AKR1C enzymes

scientific article published on 19 December 2012

New inhibitors of fungal 17β-hydroxysteroid dehydrogenase based on the [1,5]-benzodiazepine scaffold

New lipophilic phthalimido- and 3-phenoxybenzyl sulfonates: inhibition of antigen 85C mycolyltransferase activity and cytotoxicity

scientific article published on August 2006

New noncovalent inhibitors of penicillin-binding proteins from penicillin-resistant bacteria

scientific article

Nonpeptidic Selective Inhibitors of the Chymotrypsin-Like (β5 i) Subunit of the Immunoproteasome

scientific article published on April 2016

Nonsteroidal anti-inflammatory drugs and their analogues as inhibitors of aldo-keto reductase AKR1C3: new lead compounds for the development of anticancer agents

scientific article published on 23 September 2005

Novel 2-thioxothiazolidin-4-one inhibitors of bacterial MurD ligase targeting D-Glu- and diphosphate-binding sites

scientific article

Novel inhibitors of beta-ketoacyl-ACP reductase from Escherichia coli

scientific article

Novel inhibitors of trihydroxynaphthalene reductase with antifungal activity identified by ligand-based and structure-based virtual screening

scientific article

Novel mechanism of cathepsin B inhibition by antibiotic nitroxoline and related compounds

scientific article

Novel multi-target-directed ligands aiming at symptoms and causes of Alzheimer's disease.

scientific article published on 31 January 2018

Novel multi-target-directed ligands for Alzheimer's disease: Combining cholinesterase inhibitors and 5-HT6 receptor antagonists. Design, synthesis and biological evaluation.

scientific article published on 11 August 2016

Novel naphthalene-N-sulfonyl-D-glutamic acid derivatives as inhibitors of MurD, a key peptidoglycan biosynthesis enzyme

scientific article

Novel toll-like receptor 4 (TLR4) antagonists identified by structure- and ligand-based virtual screening

scientific article

One-Pot Synthesis of β-Keto Esters and Preparation of 3-Ketopalmitoyl-CoA

Organoruthenated Nitroxoline Derivatives Impair Tumor Cell Invasion through Inhibition of Cathepsin B Activity

scientific article published on 29 August 2019

Phosphinate Inhibitors of UDP-N-Acetylmuramoyl-L-Alanyl-D-Glutamate:L-Lysine Ligase (MurE)

Phosphonate inhibitors of antigen 85C, a crucial enzyme involved in the biosynthesis of the Mycobacterium tuberculosis cell wall

scientific article

Phosphorylated hydroxyethylamines as novel inhibitors of the bacterial cell wall biosynthesis enzymes MurC to MurF.

scientific article published on 10 September 2009

Phytoestrogens as inhibitors of fungal 17beta-hydroxysteroid dehydrogenase

scientific article published in August 2005

Phytoestrogens as inhibitors of fungal 17β-hydroxysteroid dehydrogenase

scientific article published on 01 September 2005

Phytoestrogens as inhibitors of the human progesterone metabolizing enzyme AKR1C1.

scientific article

Progestins as inhibitors of the human 20-ketosteroid reductases, AKR1C1 and AKR1C3

scientific article (publication date: May 2011)

Quantitative Structure-Activity Relationships ofStreptococcus pneumoniae MurD Transition State Analogue Inhibitors

Reaching toward underexplored targets in antibacterial drug design

scientific article published on 12 October 2018

Recent advances in the synthesis and applications of reduced amide pseudopeptides

scientific article published on January 2009

Redox-based inactivation of cysteine cathepsins by compounds containing the 4-aminophenol moiety

scientific article

Second-generation sulfonamide inhibitors of D-glutamic acid-adding enzyme: activity optimisation with conformationally rigid analogues of D-glutamic acid

scientific article

Selective Cytotoxicity of Amidinopiperidine Based Compounds Towards Burkitt’s Lymphoma Cells Involves Proteasome Inhibition ⬇️

scientific article published on July 30, 2012

Selective inhibitors of aldo-keto reductases AKR1C1 and AKR1C3 discovered by virtual screening of a fragment library

scientific article

Small molecule inhibitors of peptidoglycan synthesis targeting the lipid II precursor

scientific article

Specificity Determinants for Lysine Incorporation in Staphylococcus aureus Peptidoglycan as Revealed by the Structure of a MurE Enzyme Ternary Complex

scientific article

Stereoselective Activity of 1-Propargyl-4-styrylpiperidine-like Analogues That Can Discriminate between Monoamine Oxidase Isoforms A and B

scientific article published on 22 January 2020

Straightforward synthesis of orthogonally protected piperidin-3-ylmethanamine and piperidin-4-ylmethanamine derivatives

Structural and functional characterization of enantiomeric glutamic acid derivatives as potential transition state analogue inhibitors of MurD ligase

scientific article

Structural characterization and biological evaluation of a clioquinol-ruthenium complex with copper-independent antileukaemic activity

scientific article published on June 2014

Structure Guided Development of Potent Reversibly Binding Penicillin Binding Protein Inhibitors

scientific article

Structure-Activity Relationships of Novel Tryptamine-Based Inhibitors of Bacterial Transglycosylase

scientific article published on 20 November 2015

Structure-activity relationship study of tryptophan-based butyrylcholinesterase inhibitors

scientific article published on 22 August 2020

Structure-activity relationships of new cyanothiophene inhibitors of the essential peptidoglycan biosynthesis enzyme MurF

scientific article published in August 2013

Structure-based design of a new series of D-glutamic acid based inhibitors of bacterial UDP-N-acetylmuramoyl-L-alanine:D-glutamate ligase (MurD)

scientific article

Structure-based development of nitroxoline derivatives as potential multifunctional anti-Alzheimer agents

scientific article

Synthesis and Biological Assessment of Racemic Benzochromenopyrimidinimines as Antioxidant, Cholinesterase, and Aβ1-42 Aggregation Inhibitors for Alzheimer's Disease Therapy.

scientific article

Synthesis and Biological Evaluation of Benzochromenopyrimidinones as Cholinesterase Inhibitors and Potent Antioxidant, Non-Hepatotoxic Agents for Alzheimer's Disease.

scientific article published on 14 May 2016

Synthesis and activity of phosphono desmuramyldipeptide analogs

article published in 1995

Synthesis and biological evaluation of (6- and 7-phenyl) coumarin derivatives as selective nonsteroidal inhibitors of 17β-hydroxysteroid dehydrogenase type 1.

scientific article published on 7 December 2010

Synthesis and biological evaluation of N-acylhydrazones as inhibitors of MurC and MurD ligases

scientific article

Synthesis and biological evaluation of new glutamic acid-based inhibitors of MurD ligase.

scientific article published on 5 November 2008

Synthesis and preliminary biological evaluations of (+)-isocampholenic acid-derived amides

scientific article

Synthesis of 1-C-linked diphosphate analogues of UDP-N-Ac-glucosamine and UDP-N-Ac-muramic acid

Synthesis of N-phthalimido β-aminoethanesulfonyl chlorides: the use of thionyl chloride for a simple and efficient synthesis of new peptidosulfonamide building blocks

Synthesis of ethyl 3-(hydroxyphenoxy)benzyl butylphosphonates as potential antigen 85C inhibitors

Synthesis of new N-benzylpiperidine derivatives as cholinesterase inhibitors with β-amyloid anti-aggregation properties and beneficial effects on memory in vivo

scientific article published on 27 March 2015

Synthesis of pyrazolo[1,2-a]pyrazole-based peptide mimetics

article published in 2013

Synthesis, Molecular Modelling and Biological Evaluation of Novel Heterodimeric, Multiple Ligands Targeting Cholinesterases and Amyloid Beta.

scientific article

Synthetic tripeptides as alternate substrates of murein peptide ligase (Mpl).

scientific article published on 25 December 2012

The Magic of Crystal Structure-Based Inhibitor Optimization: Development of a Butyrylcholinesterase Inhibitor with Picomolar Affinity and in Vivo Activity

scientific article published on 11 December 2017

The Synthesis of Novel 2,4,6-Trisubstituted 1,3,5-Triazines: A Search for Potential MurF Enzyme Inhibitors

The binding mode of second-generation sulfonamide inhibitors of MurD: clues for rational design of potent MurD inhibitors

scientific article

Towards the first inhibitors of trihydroxynaphthalene reductase from Curvularia lunata: synthesis of artificial substrate, homology modelling and initial screening

scientific article published on 29 April 2008

Trihydroxynaphthalene reductase of Curvularia lunata--a target for flavonoid action?

scientific article

Unusual substrate specificity of the peptidoglycan MurE ligase from Erysipelothrix rhusiopathiae

scientific article published on 14 December 2015

Virtual Screening Yields Inhibitors of Novel Antifungal Drug Target, Benzoate 4-Monooxygenase

scientific article published on 08 November 2012

Virtual screening for potential inhibitors of bacterial MurC and MurD ligases

scientific article published on 12 June 2011

α-Unsaturated 3-Amino-1-carboxymethyl-β-lactams as Bacterial PBP Inhibitors: Synthesis and Biochemical Assessment

scientific article published on 09 October 2019

List of works by Stanislav Gobec

(Z)-5-(4-Fluorophenyl)pent-4-enoic Acid: A Precursor for Convenient and Efficient Synthesis of the Antihypercholesterolemia Agent Ezetimibe

2,3-Diarylpropenoic acids as selective non-steroidal inhibitors of type-5 17β-hydroxysteroid dehydrogenase (AKR1C3)

4,6-Substituted-1,3,5-triazin-2(1H)-ones as monocyclic catalytic inhibitors of human DNA topoisomerase IIα targeting the ATP binding site

5-Benzylidenethiazolidin-4-ones as Multitarget Inhibitors of Bacterial Mur Ligases

6-Arylpyrido[2,3-d]pyrimidines as novel ATP-competitive inhibitors of bacterial D-alanine:D-alanine ligase

A Novel Scalable Synthesis of Pramipexole

A Simple Synthesis of Polyfunctionalized 4-Aminopyrazolidin-3-ones as ‘Aza-deoxa’ Analogs ofD-Cycloserine

A general synthesis of ethyl 4-aminophenyl and ethyl 4-[amino(hydroxyimino)methyl]phenyl phosphonates

A microwave-assisted nucleophilic substitution reaction on a quinoline system: the synthesis of amino analogues of nitroxoline

A new approach towards peptidosulfonamides: synthesis of potential inhibitors of bacterial peptidoglycan biosynthesis enzymes MurD and MurE

Antifungal activity of cinnamic acid derivatives involves inhibition of benzoate 4-hydroxylase (CYP53)

Benzene-1,3-dicarboxylic acid 2,5-dimethylpyrrole derivatives as multiple inhibitors of bacterial Mur ligases (MurC-MurF).

Benzoic acid derivatives with improved antifungal activity: Design, synthesis, structure-activity relationship (SAR) and CYP53 docking studies.

Biochemical and biological evaluation of novel potent coumarin inhibitor of 17β-HSD type 1.

Biochemical characterization and physiological properties of Escherichia coli UDP-N-acetylmuramate:L-alanyl-gamma-D-glutamyl-meso-diaminopimelate ligase

Cathepsin X cleavage of the beta2 integrin regulates talin-binding and LFA-1 affinity in T cells

Cinnamates and cinnamamides inhibit fungal 17beta-hydroxysteroid dehydrogenase

Cinnamic acid derivatives induce cell cycle arrest in carcinoma cell lines.

Cinnamic acid esters as potent inhibitors of fungal 17beta-hydroxysteroid dehydrogenase--a model enzyme of the short-chain dehydrogenase/reductase superfamily

Cinnamic acids as new inhibitors of 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3).

Cobalt-Catalyzed Cross-Coupling of Grignards with Allylic and Vinylic Bromides: Use of Sarcosine as a Natural Ligand

Combined liquid chromatography-tandem mass spectrometry analysis of progesterone metabolites

Convenient syntheses of orthogonally protected aminocyclopentitols from aldopentoses

Crystallization and preliminary X-ray analysis of a UDP-MurNAc-tripeptide D-alanyl-D-alanine-adding enzyme (PaMurF) from Pseudomonas aeruginosa.

Cytoplasmic steps of peptidoglycan biosynthesis

D-Glucosamine in iron-catalysed cross-coupling reactions of Grignards with allylic and vinylic bromides: application to the synthesis of a key sitagliptin precursor

Derivatives of pyrimidine, phthalimide and anthranilic acid as inhibitors of human hydroxysteroid dehydrogenase AKR1C1.

Design and synthesis of new hydroxyethylamines as inhibitors of D-alanyl-D-lactate ligase (VanA) and D-alanyl-D-alanine ligase (DdlB).

Design and synthesis of novel N-benzylidenesulfonohydrazide inhibitors of MurC and MurD as potential antibacterial agents.

Design, Synthesis, and Biological Evaluation of 1-Benzylamino-2-hydroxyalkyl Derivatives as New Potential Disease-Modifying Multifunctional Anti-Alzheimer's Agents.

Design, Synthesis, and Biological Evaluation of 2-(Benzylamino-2-Hydroxyalkyl)Isoindoline-1,3-Diones Derivatives as Potential Disease-Modifying Multifunctional Anti-Alzheimer Agents.

Design, synthesis and biological evaluation of new phthalimide and saccharin derivatives with alicyclic amines targeting cholinesterases, beta-secretase and amyloid beta aggregation

Design, synthesis and evaluation of second generation MurF inhibitors based on a cyanothiophene scaffold

Design, synthesis and structure-activity relationships of new phosphinate inhibitors of MurD.

Design, synthesis, and evaluation of new thiadiazole-based direct inhibitors of enoyl acyl carrier protein reductase (InhA) for the treatment of tuberculosis

Design, synthesis, biochemical evaluation and antimycobacterial action of phosphonate inhibitors of antigen 85C, a crucial enzyme involved in biosynthesis of the mycobacterial cell wall

Development of an in-vivo active reversible butyrylcholinesterase inhibitor.

Development of multifunctional, heterodimeric isoindoline-1,3-dione derivatives as cholinesterase and β-amyloid aggregation inhibitors with neuroprotective properties

Development of new cathepsin B inhibitors: combining bioisosteric replacements and structure-based design to explore the structure-activity relationships of nitroxoline derivatives

Development of screening assays and discovery of initial inhibitors of pneumococcal peptidoglycan deacetylase PgdA

Diazenedicarboxamides as inhibitors of D-alanine-D-alanine ligase (Ddl).

Discovery and kinetic evaluation of 6-substituted 4-benzylthio-1,3,5-triazin-2(1H)-ones as inhibitors of cathepsin B.

Discovery of highly potent, nonsteroidal 17β-hydroxysteroid dehydrogenase type 1 inhibitors by virtual high-throughput screening

Discovery of new inhibitors of D-alanine:D-alanine ligase by structure-based virtual screening

Discovery of new inhibitors of aldo-keto reductase 1C1 by structure-based virtual screening

Discovery of new inhibitors of the bacterial peptidoglycan biosynthesis enzymes MurD and MurF by structure-based virtual screening

Discovery of novel 5-benzylidenerhodanine and 5-benzylidenethiazolidine-2,4-dione inhibitors of MurD ligase

Discovery of novel benzene 1,3-dicarboxylic acid inhibitors of bacterial MurD and MurE ligases by structure-based virtual screening approach

Discovery of novel small-molecule compounds with selective cytotoxicity for Burkitt's lymphoma cells using 3D ligand-based virtual screening

Discovery, biological evaluation, and crystal structure of a novel nanomolar selective butyrylcholinesterase inhibitor

Dual Inhibitor of MurD and MurE Ligases from Escherichia coli and Staphylococcus aureus.

Effect of Free and in Poly(η-caprolactone) Nanoparticles Incorporated New Type 1 17β -Hydroxysteroid Dehydrogenase Inhibitors on Cancer Cells

Ellipticines and 9-acridinylamines as inhibitors of D-alanine:D-alanine ligase

Endocrine disruptome--an open source prediction tool for assessing endocrine disruption potential through nuclear receptor binding

Epoxide opening with amino acids: improved synthesis of hydroxyethylamine dipeptide isosteres

Exploring the aryl esterase catalysis of paraoxonase-1 through solvent kinetic isotope effects and phosphonate-based isosteric analogues of the tetrahedral reaction intermediate

Expression of human aldo-keto reductase 1C2 in cell lines of peritoneal endometriosis: potential implications in metabolism of progesterone and dydrogesterone and inhibition by progestins

False positives in the early stages of drug discovery

Flavonoids and cinnamic acid derivatives as inhibitors of 17beta-hydroxysteroid dehydrogenase type 1.

Flavonoids and cinnamic acid esters as inhibitors of fungal 17β-hydroxysteroid dehydrogenase: A synthesis, QSAR and modelling study

Function of the D-alanine:D-alanine ligase lid loop: a molecular modeling and bioactivity study

Furan-based benzene mono- and dicarboxylic acid derivatives as multiple inhibitors of the bacterial Mur ligases (MurC-MurF): experimental and computational characterization

Identification and characterization of the novel reversible and selective cathepsin X inhibitors.

Identification of Conserved Water Sites in Protein Structures for Drug Design.

In Silico Design and Enantioselective Synthesis of Functionalized Monocyclic 3-Amino-1-carboxymethyl-β-lactams as Inhibitors of Penicillin-Binding Proteins of Resistant Bacteria

In silico identification, synthesis and biological evaluation of novel tetrazole inhibitors of MurB.

Inhibition of D-Ala:D-Ala ligase through a phosphorylated form of the antibiotic D-cycloserine. ⬇️

Inhibition of endopeptidase and exopeptidase activity of cathepsin B impairs extracellular matrix degradation and tumour invasion

Inhibitor design strategy based on an enzyme structural flexibility: a case of bacterial MurD ligase

Inhibitors of aldo-keto reductases AKR1C1-AKR1C4.

Inhibitors of cathepsin B.

Inhibitors of the peptidoglycan biosynthesis enzymes MurA-F.

Intercomparison of dosimetry systems based on CaF2:Mn TL detectors

Isoindoline-1,3-dione derivatives targeting cholinesterases: design, synthesis and biological evaluation of potential anti-Alzheimer's agents

LiSiCA: A Software for Ligand-Based Virtual Screening and Its Application for the Discovery of Butyrylcholinesterase Inhibitors

Melanin is crucial for growth of the black yeast Hortaea werneckii in its natural hypersaline environment

Microwave-assisted synthesis of hydroxyethylamine dipeptide isosteres

Modulation of cytokine production by some phthalimido-desmuramyl dipeptides and their cytotoxicity

Molecular dynamics to enhance structure-based virtual screening on cathepsin B.