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Distinct conformational changes occur within the intrinsically unstructured pro‐domain of pro‐Nerve Growth Factor in the presence of ATP and Mg2

Protein science, 2023-02, Vol.32 (2), p.e4563-n/a

2023

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Determination of Conformational Preferences of Dipeptides Using Vibrational Spectroscopy

The journal of physical chemistry. B, 2008-03, Vol.112 (9), p.2712-2718

2008

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New Class of Hsp90 C‑Terminal Domain Inhibitors with Anti-tumor Properties against Triple-Negative Breast Cancer

Journal of medicinal chemistry, 2024-08, Vol.67 (15), p.12984-13018

2024

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Assessment of Tractable Cysteines for Covalent Targeting by Screening Covalent Fragments

Chembiochem : a European journal of chemical biology, 2021-02, Vol.22 (4), p.743-753

2021

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Characterization of Asparagine Deamidation in Immunodominant Myelin Oligodendrocyte Glycoprotein Peptide Potential Immunotherapy for the Treatment of Multiple Sclerosis

International journal of molecular sciences, 2020-10, Vol.21 (20), p.7566

2020

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Nature-inspired substituted 3-(imidazol-2-yl) morpholines targeting human topoisomerase IIα: Dynophore-derived discovery

Biomedicine & pharmacotherapy, 2024-06, Vol.175, p.116676, Article 116676

2024

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Dynophore-Based Approach in Virtual Screening: A Case of Human DNA Topoisomerase IIα

International journal of molecular sciences, 2021-12, Vol.22 (24), p.13474

2021

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Exploration and optimisation of structure-activity relationships of new triazole-based C-terminal Hsp90 inhibitors towards in vivo anticancer potency

Biomedicine & pharmacotherapy, 2024-08, Vol.177, p.116941, Article 116941

2024

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Revealing the astragalin mode of anticandidal action

EXCLI journal, 2020-01, Vol.19, p.1436-1445

2020

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Endogenous modulators of neurotrophin signaling: Landscape of the transient ATP-NGF interactions

Computational and structural biotechnology journal, 2021-01, Vol.19, p.2938-2949

2021

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NMR in the design of antibacterials

Current medicinal chemistry, 2014-01, Vol.21 (38), p.4328

2014

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

European journal of medicinal chemistry, 2011-09, Vol.46 (9), p.3964-3975

2011

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Structural Insight into the Unique Binding Properties of Pyridylethanol(phenylethyl)amine Inhibitor in Human CYP51

Journal of chemical information and modeling, 2014-12, Vol.54 (12), p.3384-3395

2014

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Discovery of (phenylureido)piperidinyl benzamides as prospective inhibitors of bacterial autolysin E from Staphylococcus aureus

Journal of enzyme inhibition and medicinal chemistry, 2018-01, Vol.33 (1), p.1239-1247

2018

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

PloS one, 2012-12, Vol.7 (12), p.e52817-e52817

2012

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

European journal of medicinal chemistry, 2011-07, Vol.46 (7), p.2880-2894

2011

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In silico fragment-based discovery of indolin-2-one analogues as potent DNA gyrase inhibitors

Bioorganic & medicinal chemistry letters, 2005-12, Vol.15 (23), p.5207-5210

2005

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Simulation- and AI-directed optimization of 4,6-substituted 1,3,5-triazin-2(1H)-ones as inhibitors of human DNA topoisomerase IIα

Computational and structural biotechnology journal, 2024-12, Vol.23, p.2995-3018

2024

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A combined NMR and molecular dynamics simulation study to determine the conformational properties of agonists and antagonists against experimental autoimmune encephalomyelitis

Bioorganic & medicinal chemistry, 2008-03, Vol.16 (5), p.2171-2182

2008

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Pyridylethanol(phenylethyl)amines are non-azole, highly selective Candida albicans sterol 14α-demethylase inhibitors

Bioorganic chemistry, 2021-01, Vol.106, p.104472, Article 104472

2021

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

Journal of computer-aided molecular design, 2015-06, Vol.29 (6), p.541-560

2015

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Evaluation of the published kinase inhibitor set to identify multiple inhibitors of bacterial ATP-dependent mur ligases

Journal of enzyme inhibition and medicinal chemistry, 2019-01, Vol.34 (1), p.1010-1017

2019

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Polymorphisms of CYP51A1 from cholesterol synthesis: associations with birth weight and maternal lipid levels and impact on CYP51 protein structure

PloS one, 2013-12, Vol.8 (12), p.e82554-e82554

2013

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Regioselective 1,3-Dipolar Cycloadditions of (1Z)-1-(Arylmethylidene)-5,5-dimethyl-3-oxopyrazolidin-1-ium-2-ide Azomethine Imines to Acetylenic Dipolarophiles

Helvetica chimica acta, 2001-01, Vol.84 (1), p.146-156

2001

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

ChemMedChem, 2010-02, Vol.5 (2), p.286-295

2010

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Distinct conformational changes occur within the intrinsically unstructured pro‐domain of pro‐Nerve Growth Factor in the presence of ATP and Mg2

Determination of Conformational Preferences of Dipeptides Using Vibrational Spectroscopy

New Class of Hsp90 C‑Terminal Domain Inhibitors with Anti-tumor Properties against Triple-Negative Breast Cancer

Assessment of Tractable Cysteines for Covalent Targeting by Screening Covalent Fragments

Characterization of Asparagine Deamidation in Immunodominant Myelin Oligodendrocyte Glycoprotein Peptide Potential Immunotherapy for the Treatment of Multiple Sclerosis

Nature-inspired substituted 3-(imidazol-2-yl) morpholines targeting human topoisomerase IIα: Dynophore-derived discovery

Dynophore-Based Approach in Virtual Screening: A Case of Human DNA Topoisomerase IIα

Exploration and optimisation of structure-activity relationships of new triazole-based C-terminal Hsp90 inhibitors towards in vivo anticancer potency

Revealing the astragalin mode of anticandidal action

Endogenous modulators of neurotrophin signaling: Landscape of the transient ATP-NGF interactions

NMR in the design of antibacterials

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

Structural Insight into the Unique Binding Properties of Pyridylethanol(phenylethyl)amine Inhibitor in Human CYP51

Discovery of (phenylureido)piperidinyl benzamides as prospective inhibitors of bacterial autolysin E from Staphylococcus aureus

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

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

In silico fragment-based discovery of indolin-2-one analogues as potent DNA gyrase inhibitors

Simulation- and AI-directed optimization of 4,6-substituted 1,3,5-triazin-2(1H)-ones as inhibitors of human DNA topoisomerase IIα

A combined NMR and molecular dynamics simulation study to determine the conformational properties of agonists and antagonists against experimental autoimmune encephalomyelitis

Pyridylethanol(phenylethyl)amines are non-azole, highly selective Candida albicans sterol 14α-demethylase inhibitors

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

Evaluation of the published kinase inhibitor set to identify multiple inhibitors of bacterial ATP-dependent mur ligases

Polymorphisms of CYP51A1 from cholesterol synthesis: associations with birth weight and maternal lipid levels and impact on CYP51 protein structure

Regioselective 1,3-Dipolar Cycloadditions of (1Z)-1-(Arylmethylidene)-5,5-dimethyl-3-oxopyrazolidin-1-ium-2-ide Azomethine Imines to Acetylenic Dipolarophiles

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

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