Vicinal Diaryl Pyrazole: A Therapeutically Potential Molecular Scaffold

Kumar, Rajnish; Kaur, Ramandeep; Dahiya, Lalita; Kumar, Manoj

doi:10.1016/b978-0-08-102237-5.00005-5

Vicinal Diaryl Substituted Heterocycles 2018

DOI: 10.1016/b978-0-08-102237-5.00005-5

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Vicinal Diaryl Pyrazole: A Therapeutically Potential Molecular Scaffold

Rajnish Kumar¹,

Ramandeep Kaur²,

Lalita Dahiya³

et al.

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Cited by 2 publications

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References 83 publications

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“…1 Among them, vicinal diaryl pyrazoles may represent therapeutically potential molecular scaffolds, which contributed to the discovery of several clinically useful drugs. 2 In continuation of our continuing interest in structural studies and biological application of diarly pyrazole derivatives, we report herein on the crystal structure and Hirshfeld surface analysis of the title 1,5-diaryl pyrazole derivative.…”

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Crystal Structure and Hirshfeld Surface Analysis of 1-(4-Chlorophenyl)-5-{4-[(2-methylphenyl)methoxy]phenyl}-1<i>H</i>-Pyrazole

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et al. 2021

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The aim of the study is to explore the crystal structure and performe Hirshfeld surface analysis of 1-(4-chlorophenyl)-5-{4-[(2-methylphenyl)methoxy]phenyl}-1H-pyrazole.In the title compound, C23H19ClN2O, the 4-chlorophenyl, 2-methylphenyl and benzene rings are oriented with dihedral angles of 71.22(10), 31.82(9) and 59.76( 9)°, respectively, with respect to the pyrazole ring. Pairs of molecules are linked by intermolecular C-H•••O hydrogen contacts with R 2 2(8) ring motifs forming sheets lying parallel to (100). Furthermore C-H•••π interactions also contribute to stabilizing the molecular packing. A Hirshfeld surface analysis has been used to confirm and quantify the supramolecular interactions which indicate that the most important contributions for the crystal packing are from H•••H (42.5%) and H•••C/C•••H (35%) and H•••Cl/Cl•••H (12%) interactions.

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confidence: 99%

Crystal Structure and Hirshfeld Surface Analysis of 1-(4-Chlorophenyl)-5-{4-[(2-methylphenyl)methoxy]phenyl}-1<i>H</i>-Pyrazole

Aydın

Akkurt

Turanlı

et al. 2021

X-ray Structure Analysis Online

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Hybrids of Isatin‐Pyrazole as Potential α‐Glucosidase Inhibitors: Synthesis, Biological Evaluations and Molecular Docking Studies

2019

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α‐Glucosidase inhibition has been considered as an effective strategy for controlling the post‐prandial hyperglycemia in diabetic patients. A series of novel isatin‐pyrazole hybrids has been rationally designed, synthesized and characterized by different spectroscopic techniques. All of the synthesized compounds were evaluated for their α‐glucosidase inhibitory potential using in vitro enzymatic assay. The tested compounds have exhibited potent α‐glucosidase inhibition with IC50 values ranging from 3.26±0.25 to 32.33±1.08 μM. Compound V7, having 3‐nitro phenyl ring appended at pyrazole nucleus, has emerged as the most potent inhibitor among the series with an IC50 value of 3.26±0.25 μM, which was approximately 146 fold more potent than the clinically used drug acarbose (IC50=478.07±1.53 μM). Molecular docking studies were carried out to investigate the binding interactions of most active compounds with the active site of the enzyme. Further, in silico predictive pharmacokinetic parameters (ADME) and drug‐like properties of the compounds were within the acceptable ranges. In vivo biological evaluations further supplemented the in vitro results.

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Vicinal Diaryl Pyrazole: A Therapeutically Potential Molecular Scaffold

Cited by 2 publications

References 83 publications

Crystal Structure and Hirshfeld Surface Analysis of 1-(4-Chlorophenyl)-5-{4-[(2-methylphenyl)methoxy]phenyl}-1<i>H</i>-Pyrazole

Crystal Structure and Hirshfeld Surface Analysis of 1-(4-Chlorophenyl)-5-{4-[(2-methylphenyl)methoxy]phenyl}-1<i>H</i>-Pyrazole

Hybrids of Isatin‐Pyrazole as Potential α‐Glucosidase Inhibitors: Synthesis, Biological Evaluations and Molecular Docking Studies

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