In vitro
 and
 in vivo
 evaluation of the antimicrobial, antioxidant, cytotoxic, hemolytic activities and
 in silico
 POM/DFT/DNA-binding and pharmacokinetic analyses of new sulfonamide bearing thiazolidin-4-ones

Hassan, Sangar Ali; Aziz, Dara Muhammed; Abdullah, Media Noori; Bhat, Ajmal R.; Dongre, Rajendra S.; Hadda, Taïbi Ben; Almalki, Faisal A.; Kawsar, Sarkar M. A.; Rahiman, A. Kalilur; Ahmed, Sumeer; Abdellattif, Magda H.; Berredjem, Malika; Sheikh, Sheema; Jamalis, Joazaizulfazli

doi:10.1080/07391102.2023.2226713

Cited by 17 publications

(3 citation statements)

References 57 publications

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“…Electronic absorption, a fundamental concept, describes the transition of electrons from the ground state to the first excited state. It primarily entails a one‐electron transfer from the HOMO to the LUMO, indicating the movement of an electron from the outermost occupied orbital to the lowest unoccupied orbital [17,22] . The extended energy gap between the HOMO and LUMO emerges as a fundamental determinant of a molecule‘s chemical stability and reactivity.…”

Section: Resultsmentioning

confidence: 99%

“…Their structural versatility allows for the modulation of various biological targets, making them valuable scaffolds in drug discovery and development. The incorporation of nitrogen atoms within the heterocyclic ring imparts unique electronic and steric properties, influencing their interactions with biological macromolecules [16–19] . Consequently, heterocyclic compounds have emerged as key components in the synthesis of therapeutics for a wide range of diseases, including cancer, [20] infectious diseases, and neurological disorders [21–25] .…”

Section: Introductionmentioning

confidence: 99%

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Synthesis, Characterization, and Evaluation of Tetrazole Derivatives with Pyrrole‐2,5‐Dione Moieties as Urease Inhibitors: Exploring Structure‐Activity Relationships and Computational Insights

Muhammed Aziz,

Ali Hassan

2024

ChemistrySelect

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A series of Tetrazole derivatives containing pyrrole‐2,5‐dione groups (5 a–e) were synthesized and comprehensively characterized using HRMS, FT‐IR, and 1H−, 13C‐NMR spectroscopic techniques. These compounds were evaluated for their ability to inhibit urease activity in vitro, demonstrating remarkable inhibitory potential with IC50 values ranging from 4.325±1 to 18.28±1 μM, surpassing the standard thiourea (IC50=17.386±1 μM). Notably, compounds 5 b (IC50=4.325±1 μM), 5 e (IC50=7.411±1 μM), 5 c (IC50=9.313±1 μM), and 5 a (IC50=10.46±1 μM) exhibited notably higher activity compared to the standard thiourea. In our exploration of the structure‐activity relationship (SAR), we investigated the impact of differently substituted aryl rings on inhibitory potential. Our results highlight the crucial role of substituent positioning on the aryl ring, independent of the nature of the substituents. Additionally, computational studies were conducted on all compounds, supporting our experimental findings. Molecular docking simulations revealed a strong correlation between biological evaluation results and computational predictions, affirming the promising inhibitory activity of the compounds.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Synthesis, Characterization, and Evaluation of Tetrazole Derivatives with Pyrrole‐2,5‐Dione Moieties as Urease Inhibitors: Exploring Structure‐Activity Relationships and Computational Insights

Muhammed Aziz,

Ali Hassan

2024

ChemistrySelect

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“…Moreover, optimizing clinical drugs by using data from trials and post-marketing surveillance improves their safety, efficacy, and delivery methods. [2][3][4][5] Drug repurposing involves reusing known drugs for new therapies, thus enhancing their clinical value. Advances in pharmaceutical chemistry and drug delivery give rise to extended-release formulations, boosting patient compliance and treatment efficacy.…”

Section: Introductionmentioning

confidence: 99%

A synergistic investigation of azo-thiazole derivatives incorporating thiazole moieties: a comprehensive exploration of their synthesis, characterization, computational insights, solvatochromism, and multimodal biological activity assessment

Muhammed Aziz,

Hassan,

Amin

et al. 2023

RSC Adv.

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Design and development of a novel Co‐MOF catalyst for sustainable pyrimidine synthesis via the Biginelli reaction

Aziz

2024

Applied Organom Chemis

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In this study, we introduce a novel porous metal–organic framework named Co2(bbda)2(DMF)2·5H2O, or MOF‐UoR‐1, synthesized via hydrothermal techniques employing a unique Schiff base ligand. The framework underwent comprehensive characterization, confirming its microporous nature through gas‐sorption measurements. MOF‐UoR‐1 demonstrated remarkable efficacy as a catalyst for the one‐step synthesis of pyrimidine analogs. Structural validation of the synthesized pyrimidines was accomplished via 1H‐nuclear magnetic resonance (NMR) and Fourier transform infrared (FTIR) analyses. Through systematic experimentation, the optimal catalyst dosage (40 mg) was determined, showcasing its effectiveness across various aldehydes, 1,3‐carbonyl compounds, and urea substrates. Noteworthy is the broad applicability of this environmentally friendly protocol, which offers advantages such as high yields (96%), rapid reaction times (90 min), straightforward product isolation, and product purity without necessitating column chromatography. Furthermore, the catalytic integrity of the framework remained intact, enabling its reuse without compromising performance. This research presents a promising approach for the synthesis of pyrimidine derivatives, with significant implications for sustainable and efficient chemical synthesis methodologies.

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In vitro and in vivo evaluation of the antimicrobial, antioxidant, cytotoxic, hemolytic activities and in silico POM/DFT/DNA-binding and pharmacokinetic analyses of new sulfonamide bearing thiazolidin-4-ones

Cited by 17 publications

References 57 publications

Synthesis, Characterization, and Evaluation of Tetrazole Derivatives with Pyrrole‐2,5‐Dione Moieties as Urease Inhibitors: Exploring Structure‐Activity Relationships and Computational Insights

Synthesis, Characterization, and Evaluation of Tetrazole Derivatives with Pyrrole‐2,5‐Dione Moieties as Urease Inhibitors: Exploring Structure‐Activity Relationships and Computational Insights

A synergistic investigation of azo-thiazole derivatives incorporating thiazole moieties: a comprehensive exploration of their synthesis, characterization, computational insights, solvatochromism, and multimodal biological activity assessment

Design and development of a novel Co‐MOF catalyst for sustainable pyrimidine synthesis via the Biginelli reaction

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