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1,4,9,9-tetramethyloctahydro-4,7-(epoxymethano)azulen-5(1H)-one, a natural product as a potential inhibitor of COVID-19: Extraction, crystal structure, and virtual screening approach

Journal of King Saud University. Science, 2023-05, Vol.35 (4), p.102628, Article 102628

2023

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Synthesis, Crystal Growth, and Computational Investigation of New Tetrahydroisoquinoline Derivatives Potent against Molecule Nitric Oxide Synthases

Crystals (Basel), 2023-08, Vol.13 (8), p.1161

2023

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X-ray Diffraction, Spectroscopy, Optical Properties, NPA, NBO, FMO, and Hirshfeld Surface Analyses of Two Newly Synthesized Piperidinium Ionic Liquids

Crystals (Basel), 2023-11, Vol.13 (11), p.1583

2023

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Crystal structure and Hirshfeld surface analysis of (±)- N ′-(2-hydroxy-3-methoxybenzylidene)-2-(4-isobutylphenyl)propionohydrazide

Acta crystallographica. Section E, Crystallographic communications, 2022-08, Vol.78 (8), p.860-863

2022

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A joint experimental and theoretical investigation of the corrosion inhibition behavior and mechanism of hydrazone derivatives for mild steel in HCl solution

Colloids and surfaces. A, Physicochemical and engineering aspects, 2021-02, Vol.610, p.125744, Article 125744

2021

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Crystal structure and Hirshfeld surface analysis of 2-{[7-acetyl-4-cyano-6-hy-droxy-8-(4-meth-oxyphen-yl)-1,6-dimethyl-5,6,7,8-tetra-hydro-isoquinolin-3-yl-]sulfan-yl}acetic acid ethyl ester

Acta crystallographica. Section E, Crystallographic communications, 2022-02, Vol.78 (Pt 2), p.220-224

2022

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Crystal structure and Hirshfeld surface analysis of 2-{[7-acetyl-8-(4-chlorophenyl)-4-cyano-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}- N -(4-chlorophenyl)acetamide

Acta crystallographica. Section E, Crystallographic communications, 2021-05, Vol.77 (5), p.527-531

2021

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Crystal structure and Hirshfeld surface analysis of N -[( Z )-(2-hy-droxy-phen-yl)methyl-idene]aniline N -oxide

Acta crystallographica. Section E, Crystallographic communications, 2021-06, Vol.77 (Pt 6), p.596-599

2021

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Crystal structure of ( E )-1-(3-benzyl-5-phenyl-1,3-thia-zol-2-yl-idene)-2-[( E )-1,2,3,4-tetra-hydro-naphthalen-1-yl-idene]hydrazin-1-ium bromide

Acta crystallographica. Section E, Crystallographic communications, 2021-04, Vol.77 (Pt 4), p.420-423

2021

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Improved corrosion resistance of mild steel in acidic solution by hydrazone derivatives: An experimental and computational study

Arabian journal of chemistry, 2020-01, Vol.13 (1), p.2934-2954

2020

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Crystal structure and Hirshfeld surface analysis of ethyl 2-[9-(2-hy-droxy-phen-yl)-3,3,6,6-tetra-methyl-1,8-dioxo-2,3,4,4a,5,6,7,8a,9,9a,10,10a-dodeca-hydro-acridin-10-yl]acetate

Acta crystallographica. Section E, Crystallographic communications, 2021-03, Vol.77 (Pt 3), p.247-250

2021

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[Cu(dipicolinoylamide)(NO3)(H2O)] as anti-COVID-19 and antibacterial drug candidate: Design, synthesis, crystal structure, DFT and molecular docking

Journal of molecular structure, 2022-01, Vol.1247, p.131348-131348, Article 131348

2022

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Design, Assessment and Antibacterial Potency of Novel Pseudopolyrotaxanes Based on Cyclodextrin as Drug Carriers for Amoxicillin and Ceftriaxone

Journal of molecular structure, 2024-01, Vol.1296, p.136906, Article 136906

2024

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Synthesis, crystal structure, and a molecular modeling approach to identify effective antiviral hydrazide derivative against the main protease of SARS-CoV-2

Journal of molecular structure, 2022-10, Vol.1265, p.133391-133391, Article 133391

2022

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Design, synthesis, and molecular docking of novel pyrazole-chalcone analogs of lonazolac as 5-LOX, iNOS and tubulin polymerization inhibitors with potential anticancer and anti-inflammatory activities

Bioorganic chemistry, 2022-12, Vol.129, p.106171-106171, Article 106171

2022

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Crystal structure of 2-(2,3-di-methyl-anilino)-N'-[(1E)-2-hy-droxy-benzyl-idene]benzohydrazide

Acta crystallographica. Section E, Crystallographic communications, 2015-12, Vol.71 (Pt 12), p.o957-o958

2015

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Synthesis, characterization, biological and docking studies of ZrO(II), VO(II) and Zn(II) complexes of a halogenated tetra-dentate Schiff base

Arabian journal of chemistry, 2022-05, Vol.15 (5), p.103737, Article 103737

2022

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Synthesis, X-ray crystallography, computational investigation on quinoxaline derivatives as potent against adenosine receptor A2AAR

Journal of biomolecular structure & dynamics, 2024-02, p.1-19

2024

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Crystal structure of 1H-imidazol-3-ium 2-(1,3-dioxoisoindolin-2-yl)acetate

Acta crystallographica. Section E, Structure reports online, 2014-09, Vol.70 (Pt 9), p.o979-o980

2014

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Insights into the crystal structure investigation and virtual screening approach of quinoxaline derivatives as potent against c-Jun N-terminal kinases 1

Journal of biomolecular structure & dynamics, 2024-02, p.1-20

2024

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XRD/DFT, Hirshfeld surface analysis and molecular modelling simulations for unfolding reactivity of newly synthesized vanillin derivatives: excellent optical, NLO and protein binding efficiency

Journal of biomolecular structure & dynamics, 2024-02, p.1-19

2024

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Insight into crystal structures and identification of potential styrylthieno[2,3-b]pyridine-2-carboxamidederivatives against COVID-19 Mpro through structure-guided modeling and simulation approach

Journal of biomolecular structure & dynamics, 2024-05, Vol.42 (8), p.4325-4343

2024

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Crystal structure of 1-[2-(4-chloro-phen-yl)-4,5-diphenyl-1 H -imidazol-1-yl]propan-2-ol

Acta crystallographica. Section E, Crystallographic communications, 2017-01, Vol.73 (Pt 1), p.59-62

2017

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New tetrahydroisoquinoline-4-carbonitrile derivatives as potent agents against cyclin-dependent kinases, crystal structures, and computational studies

Journal of biomolecular structure & dynamics, 2024-07, Vol.42 (10), p.5053-5071

2024

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Synthesis, crystal structure, Hirshfeld surface analysis, energy framework, NBO-NLO analysis of new ethyl 2-benzoyl-3,3-bis(methylthio)acrylate

Structural chemistry, 2024-08, Vol.35 (4), p.1099-1111

2024

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1,4,9,9-tetramethyloctahydro-4,7-(epoxymethano)azulen-5(1H)-one, a natural product as a potential inhibitor of COVID-19: Extraction, crystal structure, and virtual screening approach

Synthesis, Crystal Growth, and Computational Investigation of New Tetrahydroisoquinoline Derivatives Potent against Molecule Nitric Oxide Synthases

X-ray Diffraction, Spectroscopy, Optical Properties, NPA, NBO, FMO, and Hirshfeld Surface Analyses of Two Newly Synthesized Piperidinium Ionic Liquids

Crystal structure and Hirshfeld surface analysis of (±)- N ′-(2-hydroxy-3-methoxybenzylidene)-2-(4-isobutylphenyl)propionohydrazide

A joint experimental and theoretical investigation of the corrosion inhibition behavior and mechanism of hydrazone derivatives for mild steel in HCl solution

Crystal structure and Hirshfeld surface analysis of 2-{[7-acetyl-4-cyano-6-hy-droxy-8-(4-meth-oxyphen-yl)-1,6-dimethyl-5,6,7,8-tetra-hydro-isoquinolin-3-yl-]sulfan-yl}acetic acid ethyl ester

Crystal structure and Hirshfeld surface analysis of 2-{[7-acetyl-8-(4-chlorophenyl)-4-cyano-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}- N -(4-chlorophenyl)acetamide

Crystal structure and Hirshfeld surface analysis of N -[( Z )-(2-hy-droxy-phen-yl)methyl-idene]aniline N -oxide

Crystal structure of ( E )-1-(3-benzyl-5-phenyl-1,3-thia-zol-2-yl-idene)-2-[( E )-1,2,3,4-tetra-hydro-naphthalen-1-yl-idene]hydrazin-1-ium bromide

Improved corrosion resistance of mild steel in acidic solution by hydrazone derivatives: An experimental and computational study

Crystal structure and Hirshfeld surface analysis of ethyl 2-[9-(2-hy-droxy-phen-yl)-3,3,6,6-tetra-methyl-1,8-dioxo-2,3,4,4a,5,6,7,8a,9,9a,10,10a-dodeca-hydro-acridin-10-yl]acetate

[Cu(dipicolinoylamide)(NO3)(H2O)] as anti-COVID-19 and antibacterial drug candidate: Design, synthesis, crystal structure, DFT and molecular docking

Design, Assessment and Antibacterial Potency of Novel Pseudopolyrotaxanes Based on Cyclodextrin as Drug Carriers for Amoxicillin and Ceftriaxone

Synthesis, crystal structure, and a molecular modeling approach to identify effective antiviral hydrazide derivative against the main protease of SARS-CoV-2

Design, synthesis, and molecular docking of novel pyrazole-chalcone analogs of lonazolac as 5-LOX, iNOS and tubulin polymerization inhibitors with potential anticancer and anti-inflammatory activities

Crystal structure of 2-(2,3-di-methyl-anilino)-N'-[(1E)-2-hy-droxy-benzyl-idene]benzohydrazide

Synthesis, characterization, biological and docking studies of ZrO(II), VO(II) and Zn(II) complexes of a halogenated tetra-dentate Schiff base

Synthesis, X-ray crystallography, computational investigation on quinoxaline derivatives as potent against adenosine receptor A2AAR

Crystal structure of 1H-imidazol-3-ium 2-(1,3-dioxoisoindolin-2-yl)acetate

Insights into the crystal structure investigation and virtual screening approach of quinoxaline derivatives as potent against c-Jun N-terminal kinases 1

XRD/DFT, Hirshfeld surface analysis and molecular modelling simulations for unfolding reactivity of newly synthesized vanillin derivatives: excellent optical, NLO and protein binding efficiency

Insight into crystal structures and identification of potential styrylthieno[2,3-b]pyridine-2-carboxamidederivatives against COVID-19 Mpro through structure-guided modeling and simulation approach

Crystal structure of 1-[2-(4-chloro-phen-yl)-4,5-diphenyl-1 H -imidazol-1-yl]propan-2-ol

New tetrahydroisoquinoline-4-carbonitrile derivatives as potent agents against cyclin-dependent kinases, crystal structures, and computational studies

Synthesis, crystal structure, Hirshfeld surface analysis, energy framework, NBO-NLO analysis of new ethyl 2-benzoyl-3,3-bis(methylthio)acrylate

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