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Discovery of novel antituberculosis agents among 3-phenyl-5-(1-phenyl-1H-[1,2,3]triazol-4-yl)-[1,2,4]oxadiazole derivatives targeting aminoacyl-tRNA synthetases

Scientific reports, 2021-03, Vol.11 (1), p.7162-10, Article 7162

2021

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Identification of novel small-molecular inhibitors of Staphylococcus aureus sortase A using hybrid virtual screening

Journal of antibiotics, 2022-06, Vol.75 (6), p.321-332

2022

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Identification of apoptosis signal-regulating kinase 1 (ASK1) inhibitors among the derivatives of benzothiazol-2-yl-3-hydroxy-5-phenyl-1,5-dihydro-pyrrol-2-one

Bioorganic & medicinal chemistry, 2015-05, Vol.23 (10), p.2489-2497

2015

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Benzaldehyde thiosemicarbazone derivatives against replicating and nonreplicating Mycobacterium tuberculosis

Journal of antibiotics, 2019-04, Vol.72 (4), p.218-224

2019

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Identification of 3H-Naphtho[1,2,3-de]quinoline-2,7-diones as Inhibitors of Apoptosis Signal-Regulating Kinase 1 (ASK1)

Journal of medicinal chemistry, 2011-04, Vol.54 (8), p.2680-2686

2011

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Synthesis and biological evaluation of substituted (thieno[2,3-d]pyrimidin-4-ylthio)carboxylic acids as inhibitors of human protein kinase CK2

European journal of medicinal chemistry, 2011-03, Vol.46 (3), p.870-876

2011

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Structural Hypervariability of the Two Human Protein Kinase CK2 Catalytic Subunit Paralogs Revealed by Complex Structures with a Flavonol- and a Thieno[2,3-d]pyrimidine-Based Inhibitor

Pharmaceuticals (Basel, Switzerland), 2017-01, Vol.10 (1), p.9

2017

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Rational design of apoptosis signal-regulating kinase 1 inhibitors: Discovering novel structural scaffold

European journal of medicinal chemistry, 2013-03, Vol.61, p.104-115

2013

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Discovery of potent anti-tuberculosis agents targeting leucyl-tRNA synthetase

Bioorganic & medicinal chemistry, 2016-03, Vol.24 (5), p.1023-1031

2016

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Pharmacophore modeling, docking and molecular dynamics simulation for identification of novel human protein kinase C beta (PKCβ) inhibitors

Structural chemistry, 2023-06, Vol.34 (3), p.1157-1171

2023

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Dual-targeted hit identification using pharmacophore screening

Journal of computer-aided molecular design, 2019-11, Vol.33 (11), p.955-964

2019

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Dual-target inhibitors of mycobacterial aminoacyl-tRNA synthetases among N -benzylidene- N '-thiazol-2-yl-hydrazines

MedChemComm, 2019-12, Vol.10 (12), p.2161-2169

2019

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Identification of Dual-Targeted Mycobacterium Tuberculosis Aminoacyl-tRNA Synthetase Inhibitors Using Machine Learning

Future medicinal chemistry, 2022-09, Vol.14 (17), p.1223-1237

2022

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Novel isoniazid derivative as promising antituberculosis agent

Future microbiology, 2020-07, Vol.15 (10), p.869-879

2020

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Design and synthesis of novel protein kinase CK2 inhibitors on the base of 4-aminothieno[2,3-d]pyrimidines

European journal of medicinal chemistry, 2016-06, Vol.115, p.148-160

2016

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A Note of Caution on the Role of Halogen Bonds for Protein Kinase/Inhibitor Recognition Suggested by High- And Low-Salt CK2α Complex Structures

ACS chemical biology, 2015-07, Vol.10 (7), p.1654-1660

2015

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Identification of novel PARP-1 inhibitors by structure-based virtual screening

Bioorganic & medicinal chemistry letters, 2013-11, Vol.23 (21), p.5790-5794

2013

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Discovery and characterization of synthetic 4′-hydroxyflavones—New CK2 inhibitors from flavone family

Bioorganic & medicinal chemistry, 2013-11, Vol.21 (21), p.6681-6689

2013

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Design, synthesis and evaluation of 3-quinoline carboxylic acids as new inhibitors of protein kinase CK2

Journal of enzyme inhibition and medicinal chemistry, 2016-11, Vol.31 (sup4), p.160-169

2016

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Identification of Mycobacterium tuberculosis leucyl-tRNA synthetase (LeuRS) inhibitors among the derivatives of 5-phenylamino-2H-[1,2,4]triazin-3-one

Journal of enzyme inhibition and medicinal chemistry, 2016-11, Vol.31 (sup2), p.201-207

2016

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ASK1 pharmacophore model derived from diverse classes of inhibitors

Bioorganic & medicinal chemistry letters, 2014-09, Vol.24 (18), p.4418-4423

2014

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Evaluation of 3-Carboxy-4(1H)-quinolones as Inhibitors of Human Protein Kinase CK2

Journal of medicinal chemistry, 2006-11, Vol.49 (22), p.6443-6450

2006

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Discovery of new scaffolds for rational design of HCV NS5B polymerase inhibitors

European journal of medicinal chemistry, 2012-12, Vol.58, p.258-264

2012

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Kirchhoff atomic charges fitted to multipole moments: Implementation for a virtual screening system

Journal of computational chemistry, 2008-06, Vol.29 (8), p.1332-1343

2008

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Structure-based discovery of novel flavonol inhibitors of human protein kinase CK2

Molecular and cellular biochemistry, 2011-10, Vol.356 (1-2), p.107-115

2011

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Discovery of novel antituberculosis agents among 3-phenyl-5-(1-phenyl-1H-[1,2,3]triazol-4-yl)-[1,2,4]oxadiazole derivatives targeting aminoacyl-tRNA synthetases

Identification of novel small-molecular inhibitors of Staphylococcus aureus sortase A using hybrid virtual screening

Identification of apoptosis signal-regulating kinase 1 (ASK1) inhibitors among the derivatives of benzothiazol-2-yl-3-hydroxy-5-phenyl-1,5-dihydro-pyrrol-2-one

Benzaldehyde thiosemicarbazone derivatives against replicating and nonreplicating Mycobacterium tuberculosis

Identification of 3H-Naphtho[1,2,3-de]quinoline-2,7-diones as Inhibitors of Apoptosis Signal-Regulating Kinase 1 (ASK1)

Synthesis and biological evaluation of substituted (thieno[2,3-d]pyrimidin-4-ylthio)carboxylic acids as inhibitors of human protein kinase CK2

Structural Hypervariability of the Two Human Protein Kinase CK2 Catalytic Subunit Paralogs Revealed by Complex Structures with a Flavonol- and a Thieno[2,3-d]pyrimidine-Based Inhibitor

Rational design of apoptosis signal-regulating kinase 1 inhibitors: Discovering novel structural scaffold

Discovery of potent anti-tuberculosis agents targeting leucyl-tRNA synthetase

Pharmacophore modeling, docking and molecular dynamics simulation for identification of novel human protein kinase C beta (PKCβ) inhibitors

Dual-targeted hit identification using pharmacophore screening

Dual-target inhibitors of mycobacterial aminoacyl-tRNA synthetases among N -benzylidene- N '-thiazol-2-yl-hydrazines

Identification of Dual-Targeted Mycobacterium Tuberculosis Aminoacyl-tRNA Synthetase Inhibitors Using Machine Learning

Novel isoniazid derivative as promising antituberculosis agent

Design and synthesis of novel protein kinase CK2 inhibitors on the base of 4-aminothieno[2,3-d]pyrimidines

A Note of Caution on the Role of Halogen Bonds for Protein Kinase/Inhibitor Recognition Suggested by High- And Low-Salt CK2α Complex Structures

Identification of novel PARP-1 inhibitors by structure-based virtual screening

Discovery and characterization of synthetic 4′-hydroxyflavones—New CK2 inhibitors from flavone family

Design, synthesis and evaluation of 3-quinoline carboxylic acids as new inhibitors of protein kinase CK2

Identification of Mycobacterium tuberculosis leucyl-tRNA synthetase (LeuRS) inhibitors among the derivatives of 5-phenylamino-2H-[1,2,4]triazin-3-one

ASK1 pharmacophore model derived from diverse classes of inhibitors

Evaluation of 3-Carboxy-4(1H)-quinolones as Inhibitors of Human Protein Kinase CK2

Discovery of new scaffolds for rational design of HCV NS5B polymerase inhibitors

Kirchhoff atomic charges fitted to multipole moments: Implementation for a virtual screening system

Structure-based discovery of novel flavonol inhibitors of human protein kinase CK2

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