Green Synthesis and Biological Aspect of Seven‐Membered Azepine Hybrids: A Recent Update”

The Chemical Record, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 13, 2025

Abstract Seven‐membered nitrogen‐containing heterocycles, particularly azepine‐based compounds, represent an intriguing class of molecules with vast arrays applications. These compounds have garnered considerable attention in synthetic and medicinal chemistry due to their non‐planar, non‐aromatic features, which offer structural flexibility diversity design new drugs improved pharmacological properties. This review summarizes the recent advances synthesis azepine derivatives, including eco‐friendly methodologies that align principles green chemistry, emphasize atom economy, sustainability, waste reduction. Besides, present article highlights diverse biological activities, viz. anticancer, antibacterial, antifungal, antiviral, anti‐inflammatory, neuroprotective effects derivatives. Additionally, discusses key aspects such as molecular docking studies, structure‐activity relationships (SAR), mode action evident through preclinical clinical trials. The information presented current would assist researchers designing developing novel leads for varied therapeutic

Language: Английский

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Quinazolinones as Potential Anticancer Agents: Synthesis and Action Mechanisms

Biomolecules, Journal Year: 2025, Volume and Issue: 15(2), P. 210 - 210

Published: Feb. 1, 2025

Quinazolinones, essential quinazoline derivatives, exhibit diverse biological activities with applications in pharmaceuticals and insecticides. Some derivatives have already been developed as commercial drugs. Given the rising cancer incidence, there is a critical need for new anticancer agents, quinazolinones show promising potential this domain. The present review focuses on novel advances synthesis of these important scaffolds other medicinal aspects involving drug design, structure–activity relationship, action mechanisms quinazolinone to help development derivatives.

Language: Английский

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Identification of Novel GANT61 Analogs with Activity in Hedgehog Functional Assays and GLI1-Dependent Cancer Cells

Molecules, Journal Year: 2024, Volume and Issue: 29(13), P. 3095 - 3095

Published: June 28, 2024

Aberrant activation of hedgehog (Hh) signaling has been implicated in various cancers. Current FDA-approved inhibitors target the seven-transmembrane receptor Smoothened, but resistance to these drugs observed. It proposed that a more promising strategy this pathway is at GLI1 transcription factor level. GANT61 was first small molecule identified directly suppress GLI-mediated activity; however, its development as potential anti-cancer agent hindered by modest activity and aqueous chemical instability. Our study aimed identify novel inhibitors. JChem searches fifty-two compounds similar active metabolite, GANT61-D. We combined high-throughput cell-based assays molecular docking evaluate analogs. Five analogs inhibited Hh-responsive C3H10T1/2 Gli-reporter NIH3T3 cellular without cytotoxicity. Two analogs, BAS 07019774 Z27610715, reduced Gli1 mRNA expression cells. Treatment with significantly cell viability Hh-dependent glioblastoma lung cancer lines. Molecular indicated predicted bind ZF4 region GLI1, potentially interfering ability DNA. findings show promise developing effective potent GLI

Language: Английский

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Unveiling the Untapped Potential of Bertagnini’s Salts in Microwave-Assisted Synthesis of Quinazolinones

Molecules, Journal Year: 2024, Volume and Issue: 29(9), P. 1986 - 1986

Published: April 26, 2024

Microwave-assisted organic synthesis (MAOS) has emerged as a transformative technique in chemistry, significantly enhancing the speed, efficiency, and selectivity of chemical reactions. In our research, we have employed microwave irradiation to expedite quinazolinones, using water an eco-friendly solvent thereby adhering principles green chemistry. Notably, purification product was achieved without need for column chromatography, thus streamlining process. A key innovation approach is aldehyde bisulfite adducts (Bertagnini's salts) solid surrogates aldehydes. Bertagnini's salts offer several advantages over free aldehydes, including enhanced stability, easier purification, improved reactivity. Green metrics Eco-Scale score calculations confirmed sustainability this approach, indicating reduction waste generation outcomes. This methodology facilitates diverse array compounds, offering substantial contributions field, with potential widespread applications pharmaceutical research beyond.

Language: Английский

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A Novel Fluorescent Probe containing dihydropyrimidinone Analogue for Highly Sensitive, Selective Detection of Al(III) Ions with its Molecular Docking, ADME/T and Anticancer Impact

ChemistrySelect, Journal Year: 2024, Volume and Issue: 9(19)

Published: May 16, 2024

Abstract In this investigation, a novel and promising chemosensor incorporating dihydropyrimidinone moiety, namely; ( E )‐4‐(4‐(dimethylamino)phenyl)‐5‐(3‐(4‐(dimethylamino)phenyl)acryloyl)‐6‐methyl‐3,4 dihydropyrimidin‐2(1H)‐one DPDAD ), has been successfully synthesized characterized. The chemosensor‘s response was evaluated in diverse solvents with varying polarities, shedding light on its solvatochromic behavior. assessment of colorimetric optical sensing attributes toward range metal ions such as Al(III), Cr(III), Mn II), Fe(III), Co(II), Ni(II), Cu(II) undertaken. Notably, displayed discernible color alterations upon interaction all the examined ions, significant bathochromic shift observed absorption spectra presence distinguishing it from other ions. Furthermore, through detailed emission spectral analyses, exhibited remarkable selectivity, sensitivity, an on‐off‐on switchable behavior specifically Al(III) over binding constant determined 0.39×105 M −1 , accompanied by limit detection (LOD) 1.03×10 −5 M. ′s potential extends beyond ion sensing; computationally assessed for capability to inhibit γ‐secretase enzyme. Moreover, antioxidant were probed, inhibitory effect against cancer cell lines verified in‐vitro .

Language: Английский

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Inhibition of DRP-1 mitochondrial mitophagy and fission by novel α-aminophosphonates bearing pyridine: synthesis, biological evaluations, and computer-aided design

BMC Chemistry, Journal Year: 2024, Volume and Issue: 18(1)

Published: Sept. 18, 2024

Language: Английский

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Discovering the inhibition of YAP/TEAD Hippo signaling pathway via new pyrazolone derivatives: synthesis, molecular docking and biological investigations

Scientific Reports, Journal Year: 2024, Volume and Issue: 14(1)

Published: Nov. 21, 2024

Heterocyclic compounds play a crucial role in the drug discovery process and development due to their significant presence importance. Here, we report comprehensive analysis of new pyrazolone derivatives, prepared according clear-cut, uncomplicated procedure. The derivatives were thoroughly characterized using various methods, such as elemental analysis, NMR, FT-IR. molecular docking interactions between YAP/TEAD target protein observed that compound 4 had top-ranked binding energy towards with value equal − 9.670 kcal/mol this theoretically proves its inhibitory efficacy against Hippo signaling pathway. Besides, showed best IC50 HCT-116, HepG-2, MCF-7 (in-vitro) 7.67 ± 0.5, 5.85 0.4, 6.97 0.5 μM, respectively which confirmed our results suppressing (in-silico) compared Sorafenib (SOR) reference chemotherapeutic 5.47 0.3, 9.18 0.6 7.26 0.3 respectively. Also, no cytotoxic effects human lung fibroblast normal cell line (WI-38) pharmacokinetics elucidated ADMET SOR highly toxic on cells 20.27 0.45 μM. Additionally, clarified powerful antioxidant scavenging activity DPPH free radicals (in-vitro). Conclusively, newly synthesized derivative could be used anticancer candidate via inhibiting mediated

Language: Английский

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New thiadiazolopyrimidine-ornamented pyrazoles as prospective anticancer candidates via suppressing VEGFR-2/PI3K/Akt signaling pathway: Synthesis, characterization, in-silico, and in-vitro studies

International Journal of Biological Macromolecules, Journal Year: 2024, Volume and Issue: unknown, P. 138735 - 138735

Published: Dec. 1, 2024

Language: Английский

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