Synthesis, crystal structure, DFT calculations, Hirshfeld surface analysis, energy frameworks, molecular dynamics and docking studies of novel isoxazolequinoxaline derivative (IZQ) as anti-cancer drug

Abad, Nadeem; Sallam, Hamdi Hamid; Al-Ostoot, Fares Hezam; Khamees, Hussien Ahmed; Al-horaibi, Sultan A.; A, Sridhar M.; Mahendra, M.; Hafi, Mohamed El; Mague, Joel T.; Essassi, El Mokhtar; Ramli, Youssef

doi:10.1016/j.molstruc.2021.130004

Cited by 42 publications

(7 citation statements)

References 46 publications

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“…As a continuation of our work in this area (e.g. Abad et al, 2021), the title compound was synthesized and its crystal structure is reported here (Fig. 1).…”

Section: Structure Descriptionmentioning

confidence: 89%

2-(3-Methyl-2-oxoquinoxalin-1-yl)-N-(4-methylphenyl)acetamide

Missioui¹,

Alsubari²,

Mague³

et al. 2023

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“…As a continuation of our work in this area (e.g. Abad et al, 2021), the title compound was synthesized and its crystal structure is reported here (Fig. 1).…”

Section: Structure Descriptionmentioning

confidence: 89%

2-(3-Methyl-2-oxoquinoxalin-1-yl)-N-(4-methylphenyl)acetamide

Missioui¹,

Alsubari²,

Mague³

et al. 2023

IUCr Data

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“…Quinoxaline and its derivatives have attracted significant considerations because of their pharmacological activities (e.g., Abad et al, 2021) and industrial properties (e.g., Laabaissi et al, 2020). As a continuation of our work on the synthesis of 3-methylquinoxalin-2-one derivatives in order to evaluate their pharmacological activities (Ramli et al 2018), the title compound, C 18 H 16 N 4 O 5 was synthesized and its crystal structure is reported here.…”

Section: Structure Descriptionmentioning

confidence: 99%

N-(4-Methoxy-2-nitrophenyl)-2-(3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)acetamide

Missioui¹,

Mague²,

Alsubari³

et al. 2023

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The quinoxaline unit in the title molecule, C18H16N4O5, is slightly puckered [dihedral angle between the rings = 2.07 (12)°] while the whole molecule adopts an L-shaped conformation. Intramolecular hydrogen bonding determines the orientation of the substituted phenyl ring and the amide nitrogen atom is almost planar. The packing in the crystal is governed by C—H...O hydrogen bonds and slipped π-stacking interactions.

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“…[12] Ndeem et al, investigated some eco-friendly catalyst for the synthesis of quinoxaline by condensation of α-diketones and 1,2phenylenediamines. [13] Wang et al, synthesized quinoxaline derivatives at room temperature using molecular iodine as a catalyst in DMSO. [14] (Scheme 2)…”

Section: Synthesis Of 23-diphenyl Quinoxaline From Benzil and Ophenyl...mentioning

confidence: 99%

A Review on Multipurpose Potential of Bioactive Heterocycle Quinoxaline

2023

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In last few decades, nitrogen‐containing heterocycles have maintained their status as an important core of FDA‐approved drugs and medicinally active compounds. Quinoxaline is one such class of nitrogen‐containing scaffold that has become a subject of extensive research as it possess a plethora of biological activities. Molecular hybridization is a versatile and rational approach to drug design that involves the combination of two bioactive molecules possessing distinct intrinsic activity into a single scaffold for enhancing their therapeutic potential. In view of this, the advancement and potential of quinoxaline hybrids bearing thiazole, triazole, oxadiazole, pyrrolizines, pyrazole, etc. have attracted the keen attention of researchers to explore their therapeutic ability against different biological targets. The present review includes the research in the recent years (2018–2023) and addresses the graceful advancements in the studies related to quinoxaline‐based small molecules including their synthetic routes, biological activities and structure‐activity relationships. We anticipate that this review article will provide comprehensive knowledge of pharmacological importance of quinoxaline analogues and will fulfill the need of scientific community in designing and developing efficacious novel molecules.

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Synthesis, crystal structure, DFT calculations, Hirshfeld surface analysis, energy frameworks, molecular dynamics and docking studies of novel isoxazolequinoxaline derivative (IZQ) as anti-cancer drug

Cited by 42 publications

References 46 publications

2-(3-Methyl-2-oxoquinoxalin-1-yl)-N-(4-methylphenyl)acetamide

2-(3-Methyl-2-oxoquinoxalin-1-yl)-N-(4-methylphenyl)acetamide

N-(4-Methoxy-2-nitrophenyl)-2-(3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)acetamide

A Review on Multipurpose Potential of Bioactive Heterocycle Quinoxaline

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