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Natural compounds with xanthine oxidase inhibitory activity: A review

Chemical biology & drug design, 2019-04, Vol.93 (4), p.387-418

2019

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Synthesis of quinoline derivatives as diabetic II inhibitors and molecular docking studies

Bioorganic & medicinal chemistry, 2019-09, Vol.27 (18), p.4081-4088

2019

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Extensive evaluation of environment-specific force field for ordered and disordered proteins

Physical chemistry chemical physics : PCCP, 2021-06, Vol.23 (21), p.12127-12136

2021

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Mechanism of zinc ejection by disulfiram in nonstructural protein 5A

Physical chemistry chemical physics : PCCP, 2021-06, Vol.23 (21), p.1224-12215

2021

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The Landscape of Protein Tyrosine Phosphatase (Shp2) and Cancer

Current pharmaceutical design, 2018-01, Vol.24 (32), p.3767

2018

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A facile isoelectric focusing of myoglobin and hemoglobin used as markers for screening of chicken meat quality in China

Electrophoresis, 2019-10, Vol.40 (20), p.2767-2774

2019

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Evaluation of derivatives of 2,3-dihydroquinazolin-4(1H)-one as inhibitors of cholinesterases and their antioxidant activity: In vitro, in silico, and kinetics studies

Journal of the Serbian Chemical Society, 2023, Vol.88 (9), p.825-840

2023

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Evaluation of S-substituted-2-mercaptobenzimidazole analogs for urease inhibitory and DPPH radical scavenging potential: synthesis, bioactivity, and molecular docking study

Journal of the Iranian Chemical Society, 2023, Vol.20 (1), p.175-191

2023

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2-Mercaptobenzimidazole Derivatives as Novel Butyrylcholinesterase Inhibitors: Biology-Oriented Drug Synthesis (BIODS), In-Vitro and In-Silico Evaluation

Journal of the Chemical Society of Pakistan, 2020-04, Vol.42 (2), p.263-263

2020

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Biology-oriented drug synthesis of nitrofurazone derivatives: Their α-glucosidase inhibitory activity and molecular docking studies

Arabian journal of chemistry, 2022-06, Vol.15 (6), p.103806, Article 103806

2022

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Comparison and Evaluation of Force Fields for Intrinsically Disordered Proteins

Journal of chemical information and modeling, 2020-10, Vol.60 (10), p.4912-4923

2020

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Improved color stability of anthocyanins in the presence of ascorbic acid with the combination of rosmarinic acid and xanthan gum

Food chemistry, 2021-07, Vol.351, p.129317-129317, Article 129317

2021

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Discovery of cryptic allosteric sites using reversed allosteric communication by a combined computational and experimental strategy

Chemical science (Cambridge), 2020-11, Vol.12 (1), p.464-476

2020

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Activation pathway of a G protein-coupled receptor uncovers conformational intermediates as targets for allosteric drug design

Nature communications, 2021-08, Vol.12 (1), p.4721-15, Article 4721

2021

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Molecular docking and simulation of Zika virus NS3 helicase

BMC chemistry, 2019-05, Vol.13 (1), p.67-8, Article 67

2019

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Identification of a Potential Vaccine against Treponema pallidum Using Subtractive Proteomics and Reverse-Vaccinology Approaches

Vaccines (Basel), 2022-12, Vol.11 (1), p.72

2022

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Isatin based Schiff bases as inhibitors of α-glucosidase: Synthesis, characterization, in vitro evaluation and molecular docking studies

Bioorganic chemistry, 2015-06, Vol.60, p.42-48

2015

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Syntheses, in vitro α-amylase and α-glucosidase dual inhibitory activities of 4-amino-1,2,4-triazole derivatives their molecular docking and kinetic studies

Bioorganic & medicinal chemistry, 2020-06, Vol.28 (11), p.115467, Article 115467

2020

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Gain-of-Function SHP2 E76Q Mutant Rescuing Autoinhibition Mechanism Associated with Juvenile Myelomonocytic Leukemia

Journal of chemical information and modeling, 2019-07, Vol.59 (7), p.3229-3239

2019

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Design, synthesis, in vitro anti-oxidant evaluation, α-amylase inhibition assay, and molecular docking analysis of 2-(2-benzylidenehydrazinyl)-4,4-diphenyl-1H-imidazol-5(4H)-ones

Journal of molecular structure, 2023-04, Vol.1278, p.134924, Article 134924

2023

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Mononuclear Tricoordinate Copper(I) and Silver(I) Halide Complexes of a Sterically Bulky Thiourea Ligand and a Computational Insight of Their Interaction with Human Insulin

Molecules (Basel, Switzerland), 2022-06, Vol.27 (13), p.4231

2022

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Structural and free energy landscape of novel mutations in ribosomal protein S1 (rpsA) associated with pyrazinamide resistance

Scientific reports, 2019-05, Vol.9 (1), p.7482-7482, Article 7482

2019

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Synthesis and screening of (E)-3-(2-benzylidenehydrazinyl)-5,6-diphenyl-1,2,4-triazine analogs as novel dual inhibitors of α-amylase and α-glucosidase

Bioorganic chemistry, 2020-08, Vol.101, p.103979, Article 103979

2020

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Triazinoindole analogs as potent inhibitors of α-glucosidase: Synthesis, biological evaluation and molecular docking studies

Bioorganic chemistry, 2015-02, Vol.58, p.81-87

2015

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Novel N‐Acyl‐1H‐imidazole‐1‐carbothioamides: Design, Synthesis, Biological and Computational Studies

Chemistry & biodiversity, 2020-03, Vol.17 (3), p.e1900509-n/a

2020

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Natural compounds with xanthine oxidase inhibitory activity: A review

Synthesis of quinoline derivatives as diabetic II inhibitors and molecular docking studies

Extensive evaluation of environment-specific force field for ordered and disordered proteins

Mechanism of zinc ejection by disulfiram in nonstructural protein 5A

The Landscape of Protein Tyrosine Phosphatase (Shp2) and Cancer

A facile isoelectric focusing of myoglobin and hemoglobin used as markers for screening of chicken meat quality in China

Evaluation of derivatives of 2,3-dihydroquinazolin-4(1H)-one as inhibitors of cholinesterases and their antioxidant activity: In vitro, in silico, and kinetics studies

Evaluation of S-substituted-2-mercaptobenzimidazole analogs for urease inhibitory and DPPH radical scavenging potential: synthesis, bioactivity, and molecular docking study

2-Mercaptobenzimidazole Derivatives as Novel Butyrylcholinesterase Inhibitors: Biology-Oriented Drug Synthesis (BIODS), In-Vitro and In-Silico Evaluation

Biology-oriented drug synthesis of nitrofurazone derivatives: Their α-glucosidase inhibitory activity and molecular docking studies

Comparison and Evaluation of Force Fields for Intrinsically Disordered Proteins

Improved color stability of anthocyanins in the presence of ascorbic acid with the combination of rosmarinic acid and xanthan gum

Discovery of cryptic allosteric sites using reversed allosteric communication by a combined computational and experimental strategy

Activation pathway of a G protein-coupled receptor uncovers conformational intermediates as targets for allosteric drug design

Molecular docking and simulation of Zika virus NS3 helicase

Identification of a Potential Vaccine against Treponema pallidum Using Subtractive Proteomics and Reverse-Vaccinology Approaches

Isatin based Schiff bases as inhibitors of α-glucosidase: Synthesis, characterization, in vitro evaluation and molecular docking studies

Syntheses, in vitro α-amylase and α-glucosidase dual inhibitory activities of 4-amino-1,2,4-triazole derivatives their molecular docking and kinetic studies

Gain-of-Function SHP2 E76Q Mutant Rescuing Autoinhibition Mechanism Associated with Juvenile Myelomonocytic Leukemia

Design, synthesis, in vitro anti-oxidant evaluation, α-amylase inhibition assay, and molecular docking analysis of 2-(2-benzylidenehydrazinyl)-4,4-diphenyl-1H-imidazol-5(4H)-ones

Mononuclear Tricoordinate Copper(I) and Silver(I) Halide Complexes of a Sterically Bulky Thiourea Ligand and a Computational Insight of Their Interaction with Human Insulin

Structural and free energy landscape of novel mutations in ribosomal protein S1 (rpsA) associated with pyrazinamide resistance

Synthesis and screening of (E)-3-(2-benzylidenehydrazinyl)-5,6-diphenyl-1,2,4-triazine analogs as novel dual inhibitors of α-amylase and α-glucosidase

Triazinoindole analogs as potent inhibitors of α-glucosidase: Synthesis, biological evaluation and molecular docking studies

Novel N‐Acyl‐1H‐imidazole‐1‐carbothioamides: Design, Synthesis, Biological and Computational Studies

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