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One-pot synthesis, NMR, quantum chemical approach, molecular docking studies, drug-likeness and in-silico ADMET prediction of novel 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-(furan-2-yl)-4,5-diphenyl-1H-imidazole derivatives

Journal of molecular structure, 2023-02, Vol.1273, p.134314, Article 134314

2023

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Computational Quantum Chemical Study, Insilco Molecular Docking and ADMET Study of (3E,5E)-3,5-Bis((1H-Indol-3-yl)Methylene)-1-Benzylpiperidin-4-One Derivatives

Polycyclic aromatic compounds, 2024-07, Vol.44 (6), p.3807-3824

2024

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Synthesis, crystal structure, Hirshfeld surface analysis, DFT, molecular docking and molecular dynamic simulation studies of (E)-2,6-bis(4-chlorophenyl)-3-methyl-4-(2-(2,4,6-trichlorophenyl)hydrazono)piperidine derivatives

Journal of molecular structure, 2022-10, Vol.1266, p.133483-133483, Article 133483

2022

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Fabrication and assessment of reinforced ceramic electrical insulator from bamboo leaf ash waste

Journal of alloys and compounds, 2020-05, Vol.824, p.153703, Article 153703

2020

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Green Synthesis of Starch‐Capped CdS Nanoparticles Doped with Copper (II) and Manganese (II): Structural, Optical, and Photocatalytic Properties

European journal of inorganic chemistry, 2024-09, Vol.27 (27), p.n/a

2024

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Synthesis, characterization, molecular modeling, binding energies of β-cyclodextrin-inclusion complexes of quercetin: Modification of photo physical behavior upon β-CD complexation

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2024-05, Vol.313, p.124091, Article 124091

2024

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Synthesis, quantum chemical studies, molecular docking, molecular dynamics simulation and ADMET studies on 2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1, 4,5-triphenyl-1H-imidazole derivatives

Molecular physics, 2024-06, Vol.122 (12)

2024

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Synthesis, crystal structure investigation, DFT studies and DPPH radical scavenging activity of 1-(furan-2-ylmethyl)-2,4,5-triphenyl-1H-imidazole derivatives

Journal of molecular structure, 2016-03, Vol.1108, p.698-707

2016

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Identification of Key Pro-Survival Proteins in Isolated Colonic Goblet Cells of Winnie, a Murine Model of Spontaneous Colitis

Inflammatory bowel diseases, 2020-01, Vol.26 (1), p.80-92

2020

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Gut Dysbiosis and Diabetic Foot Ulcer: Role of Probiotics

Pharmaceutics, 2022-11, Vol.14 (11), p.2543

2022

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Editorial: Metabolism Linking Immunity and Inflammatory Phenotypes in Cardiovascular Disease

Frontiers in cardiovascular medicine, 2022-05, Vol.9, p.907530-907530

2022

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Streptococcus Thermophilus UASt-09 Upregulates Goblet Cell Activity in Colonic Epithelial Cells to a Greater Degree than other Probiotic Strains

Microorganisms (Basel), 2020-11, Vol.8 (11), p.1758

2020

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One-pot synthesis, Spectral, X-ray crystal structure, Hirshfeld surface and computational study on potential inhibitory action of novel 1-benzyl-2-(4-methoxynaphthalen-1-yl)-4,5-diphenyl-1H-imidazole derivatives against COVID-19 main protease (Mpro: 6WCF/6Y84)

Journal of molecular structure, 2022-02, Vol.1250, p.131892, Article 131892

2022

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One-pot synthesis, NMR, quantum chemical approach, molecular docking studies, drug-likeness and in-silico ADMET prediction of novel 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-(furan-2-yl)-4,5-diphenyl-1 H -imidazole derivatives

Journal of molecular structure, 2023-02, Vol.1273, p.134314

2023

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Intestinal epithelium and autophagy: partners in gut homeostasis

Frontiers in immunology, 2013-09, Vol.4, p.301-301

2013

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Synthesis, DFT investigation, antioxidant, molecular docking and ADME-T properties of N′-(1-benzylpiperidin-4-ylidene) furan-2-carbohydrazide derivatives against SARS-CoV-2 spike proteins

Molecular physics, 2024-09

2024

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2,4-dichloro-6-(1,4,5-triphenyl-1 H -imidazol-2-yl) phenol: synthesis, DFT analysis, Molecular docking, molecular dynamics, ADMET properties against COVID-19 main protease (Mpro: 6WCF/6Y84/6LU7)

Molecular physics, 2024-05

2024

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Synthesis, Spectral and Computational Studies of some 2-(2-(3-Methyl-2,4-Diphenyl-3-Azabicyclo[3.3.1]Nonan-9-Ylidene)Hydrazinyl)Benzo[d]Thiazole Derivatives

International letters of chemistry, physics and astronomy, 2015-01, Vol.61, p.28-28

2015

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Synthesis, NMR, anti-oxidant, anti-cancer activity, Molecular docking, DFT Calculations and in silico ADME analysis of 3′-benzoyl-4′-phenyl-5′-(piperazin-1-ylmethyl)spiro[indoline-3,2′-pyrrolidin]-2-one derivatives

Journal of molecular structure, 2022-11, Vol.1267, p.133551, Article 133551

2022

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N'-(3,4-dimethoxybenzylidene)-4-methylbenzenesulfonohydrazide derivatives: Synthesis, quantum chemical method, in silico ADMET, molecular docking and molecular dynamic simulations

Journal of molecular structure, 2023-11, Vol.1291, p.135933, Article 135933

2023

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Dexamethasone Ameliorates Intestinal Epithelial Cell Endoplasmic Reticulum (ER) Stress and ER Stress Induced Colitis

Gastroenterology (New York, N.Y. 1943), 2011, Vol.140 (5), p.S-166-S-166

2011

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Synthesis, quantum chemical studies, molecular docking, molecular dynamics simulation and ADMET studies on 2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1, 4,5-triphenyl-1 H -imidazole derivatives

Molecular physics, 2024-06, Vol.122 (12)

2024

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In silico rationalization of piperidin-4-one analogs as anaplastic lymphoma kinase inhibitors: Integration of density functional theory, topological descriptor, molecular docking and pharmacological feature profiling

Journal of molecular structure, 2024-09, Vol.1311, p.138356, Article 138356

2024

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Computational investigation of hydrazone derivatives as potential COVID-19 receptor inhibitors: DFT analysis, molecular docking, dynamics simulations, topological indices and ADMET profiling

Molecular physics, 2024-09

2024

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Synthesis, molecular structure, DFT studies and antimicrobial activities of some novel 3-(1-(3,4-dimethoxyphenethyl)-4,5-diphenyl-1H-imidazol-2-yl)-1H-indole derivatives and its molecular docking studies

Journal of molecular structure, 2017-01, Vol.1127, p.597-610

2017

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One-pot synthesis, NMR, quantum chemical approach, molecular docking studies, drug-likeness and in-silico ADMET prediction of novel 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-(furan-2-yl)-4,5-diphenyl-1H-imidazole derivatives

Computational Quantum Chemical Study, Insilco Molecular Docking and ADMET Study of (3E,5E)-3,5-Bis((1H-Indol-3-yl)Methylene)-1-Benzylpiperidin-4-One Derivatives

Synthesis, crystal structure, Hirshfeld surface analysis, DFT, molecular docking and molecular dynamic simulation studies of (E)-2,6-bis(4-chlorophenyl)-3-methyl-4-(2-(2,4,6-trichlorophenyl)hydrazono)piperidine derivatives

Fabrication and assessment of reinforced ceramic electrical insulator from bamboo leaf ash waste

Green Synthesis of Starch‐Capped CdS Nanoparticles Doped with Copper (II) and Manganese (II): Structural, Optical, and Photocatalytic Properties

Synthesis, characterization, molecular modeling, binding energies of β-cyclodextrin-inclusion complexes of quercetin: Modification of photo physical behavior upon β-CD complexation

Synthesis, quantum chemical studies, molecular docking, molecular dynamics simulation and ADMET studies on 2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1, 4,5-triphenyl-1H-imidazole derivatives

Synthesis, crystal structure investigation, DFT studies and DPPH radical scavenging activity of 1-(furan-2-ylmethyl)-2,4,5-triphenyl-1H-imidazole derivatives

Identification of Key Pro-Survival Proteins in Isolated Colonic Goblet Cells of Winnie, a Murine Model of Spontaneous Colitis

Gut Dysbiosis and Diabetic Foot Ulcer: Role of Probiotics

Editorial: Metabolism Linking Immunity and Inflammatory Phenotypes in Cardiovascular Disease

Streptococcus Thermophilus UASt-09 Upregulates Goblet Cell Activity in Colonic Epithelial Cells to a Greater Degree than other Probiotic Strains

One-pot synthesis, Spectral, X-ray crystal structure, Hirshfeld surface and computational study on potential inhibitory action of novel 1-benzyl-2-(4-methoxynaphthalen-1-yl)-4,5-diphenyl-1H-imidazole derivatives against COVID-19 main protease (Mpro: 6WCF/6Y84)

One-pot synthesis, NMR, quantum chemical approach, molecular docking studies, drug-likeness and in-silico ADMET prediction of novel 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-(furan-2-yl)-4,5-diphenyl-1 H -imidazole derivatives

Intestinal epithelium and autophagy: partners in gut homeostasis

Synthesis, DFT investigation, antioxidant, molecular docking and ADME-T properties of N′-(1-benzylpiperidin-4-ylidene) furan-2-carbohydrazide derivatives against SARS-CoV-2 spike proteins

2,4-dichloro-6-(1,4,5-triphenyl-1 H -imidazol-2-yl) phenol: synthesis, DFT analysis, Molecular docking, molecular dynamics, ADMET properties against COVID-19 main protease (Mpro: 6WCF/6Y84/6LU7)

Synthesis, Spectral and Computational Studies of some 2-(2-(3-Methyl-2,4-Diphenyl-3-Azabicyclo[3.3.1]Nonan-9-Ylidene)Hydrazinyl)Benzo[d]Thiazole Derivatives

Synthesis, NMR, anti-oxidant, anti-cancer activity, Molecular docking, DFT Calculations and in silico ADME analysis of 3′-benzoyl-4′-phenyl-5′-(piperazin-1-ylmethyl)spiro[indoline-3,2′-pyrrolidin]-2-one derivatives

N'-(3,4-dimethoxybenzylidene)-4-methylbenzenesulfonohydrazide derivatives: Synthesis, quantum chemical method, in silico ADMET, molecular docking and molecular dynamic simulations

Dexamethasone Ameliorates Intestinal Epithelial Cell Endoplasmic Reticulum (ER) Stress and ER Stress Induced Colitis

Synthesis, quantum chemical studies, molecular docking, molecular dynamics simulation and ADMET studies on 2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1, 4,5-triphenyl-1 H -imidazole derivatives

In silico rationalization of piperidin-4-one analogs as anaplastic lymphoma kinase inhibitors: Integration of density functional theory, topological descriptor, molecular docking and pharmacological feature profiling

Computational investigation of hydrazone derivatives as potential COVID-19 receptor inhibitors: DFT analysis, molecular docking, dynamics simulations, topological indices and ADMET profiling

Synthesis, molecular structure, DFT studies and antimicrobial activities of some novel 3-(1-(3,4-dimethoxyphenethyl)-4,5-diphenyl-1H-imidazol-2-yl)-1H-indole derivatives and its molecular docking studies

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