The current landscape of coumarin hybrids with antibreast cancer therapeutic applications: An updated review DOI
Ruo Wang, Zilong Chen, Yiheng Huang

et al.

Archiv der Pharmazie, Journal Year: 2024, Volume and Issue: 357(10)

Published: July 9, 2024

Globally, breast cancer (BC) has the highest prevalence among malignant diseases. BC is also primary cause of death women. Notably, morbidity been increasing continuously at an approximate growth rate 2.2% per year. Persistent a major public health issue worldwide. Consequently, novel chemotherapeutic agents to combat this lethal disease should be developed urgently. Coumarins with interesting structural and mechanistic variations exhibit promising activity in several forms BC, including BCs multidrug resistance. In particular, coumarin hybrids composed one or more anti-BC pharmacophores can target different biological components cells simultaneously. Thus, are useful scaffolds that help improve efficacy coumarins, reduce side effects, pharmacokinetics, minimize drug-drug interactions, circumvent drug This review, which articles published from 2020 present day have evaluated, highlights landscape therapeutic effects against cancer. These findings aid further investigations on antibreast-cancer therapeutics.

Language: Английский

Tandem Synthesis and Computational Insights into Triazole and Pyrazole-Based Pyridine Derivatives Targeting EGFR-TK in Cancer Therapy DOI
Samir Bondock,

Nada Alabbad,

Rehab H. Abd El‐Aleam

et al.

Polycyclic aromatic compounds, Journal Year: 2025, Volume and Issue: unknown, P. 1 - 24

Published: Jan. 8, 2025

Cancer remains one of the leading causes death worldwide, despite significant advances in treatment. Targeting tyrosine kinases, such as epidermal growth factor receptor (EGFR), has become a promising approach for development anticancer agents. In this study, we designed and synthesized series triazole pyrazole-based pyridine derivatives (7a–c, 10a–c, 11, 14a, 14b) to target EGFR-TK. Bioisosteric modifications were incorporated into these compounds, based on key pharmacophoric features established EGFR-TK inhibitors. The compounds evaluated cytotoxicity against range cancer cell lines, including MCF-7, HepG2, HCT116, EA hy926. Notably, 14a 14b, which feature pyrazolo[3,4-b]pyridine-5-carbonitrile nucleus, demonstrated activity with lower IC50 values across all tested lines. These exhibited potent inhibitory effects, indicating their potential effective silico studies, ADME predictions, molecular docking, dynamics simulations, further supported favorable pharmacokinetic profiles strong binding interactions Our findings suggest that could serve candidates targeted therapies.

Language: Английский

Citations

1
Novel Nano-sized N-Thiazolylpyridylamines Targeting CDK2: Design, Divergent Synthesis, Conformational Studies, and Multifaceted In Silico Analysis DOI
Samir Bondock,

Nada Alabbad,

Aisha Hossan

et al.

Chemico-Biological Interactions, Journal Year: 2025, Volume and Issue: unknown, P. 111366 - 111366

Published: Jan. 1, 2025

Language: Английский

Citations

0
Bioactivity of novel isoxazole-fused heterocycles: comprehensive antimicrobial, antioxidant activities, SwissADME predictions, molecular docking, and DFT analysis DOI Creative Commons

Mohamed Ahmed Mahmoud Abdel Reheim,

Moaz M. Abdou,

M. S. A. El‐Gaby

et al.

Molecular Diversity, Journal Year: 2025, Volume and Issue: unknown

Published: April 17, 2025

Abstract Among the foremost goals for organic chemists is to discover novel approaches synthesis of a particular heterocyclic and its design. Our approach focused on vital precursor 4-acetyl-3-phenylisoxazol-5(4 H )-one 3 , as this molecule has an endocyclic carbonyl function in position 5 adjacent substituted acetyl at site 4. Therefore, compound was crucial component many types fused isoxazole. The investigators provide straightforward isoxazole from following categories: pyrano[3,2- d ]isoxazole 4 & 6 isochromeno[4,3- isoxazolo[4',5':5,6]pyrano[3,4- c ]pyridine 7 thieno[3',4':4,5]pyrano [3,2- 8 pyrazolo[4,3- 10a,b 11a,b isoxazolo[4,5- ]pyridazine derivatives 14a,b . target compounds their structures were supported by results 1 H-NMR, IR mass spectroscopy. Molecular docking studies highlighted strong binding affinities bacterial enzymes cell wall synthesis, while DFT calculations provided deep insights into electronic properties stability. Additionally, antioxidant potential assessed using DPPH ABTS assays, showing impressive concentration-dependent activity. Addressing critical issue antibiotic resistance, especially due β-lactamases, molecular affirmed high propensity these with essential β-lactamase proteins (PDB: 1CK3, 6MU9, 6W2Z). These findings underscore promise isoxazoline powerful antimicrobial agents, paving way further development combating resistance oxidative stress.

Language: Английский

Citations

0
Synthesis and Computational Evaluation of Azaheterocyclic Inhibitors Targeting TGFβRI: Integrating TD-DFT, Physicochemical Profiling, Molecular Docking, and Molecular Dynamics DOI
Samir Bondock,

Nada Alabbad,

Rehab H. Abd El‐Aleam

et al.

Arabian Journal for Science and Engineering, Journal Year: 2025, Volume and Issue: unknown

Published: April 18, 2025

Language: Английский

Citations

0
Eco-friendly one-pot synthesis, structural, and physical properties of coumarin 6 DOI
Sahar Elnobi,

Moaz M. Abdou,

Amr Attia Abuelwafa

et al.

Optics & Laser Technology, Journal Year: 2025, Volume and Issue: 188, P. 112952 - 112952

Published: April 19, 2025

Language: Английский

Citations

0
Synthetic Strategies and Structure Activity Relationships (SAR) of Biologically Active Coumarin‐Based Hybrids DOI
Biplab Debnath, Soumen K. Manna, Arindam Maity

et al.

ChemistrySelect, Journal Year: 2025, Volume and Issue: 10(16)

Published: April 1, 2025

Abstract Coumarin (2‐benzopyrone), a secondary plant metabolite, is considered privileged scaffold in medicinal chemistry. and its derivatives have been demonstrated to exhibit various biological activities such as antiviral, antibacterial, anticancer, anti‐inflammatory, anticonvulsant, antioxidant, antidepressant, anti‐Alzheimer, antidiabetic. Because of wide spectrum activities, it has explored extensively which resulted the development many clinically useful drug molecules. Attempts made prepare coumarin by either substituting them with variety aromatic heterocyclic rings functionalities or preparing hybrids linked through an appropriate linker obtain develop potential therapeutic agents. The inclusion natural metabolites gained importance recent past enhance activity. moieties are easily synthesized chemical methods Knoevenagel reaction, Pechmann condensation, Kostanecki–Robinson coupling Claisen rearrangement, Michel addition Witting Reformatsky Perkin so on. current review provides overview classification coumarins, details approaches used for synthesis derivatives. introduced synthetic compounds discussed structure‐activity relationship (SAR) supported their 2D molecular docking studies interaction within receptors. SAR will support chemist directing novel diverse pharmacological properties.

Language: Английский

Citations

0
The current landscape of coumarin hybrids with antibreast cancer therapeutic applications: An updated review DOI
Ruo Wang, Zilong Chen, Yiheng Huang

et al.

Archiv der Pharmazie, Journal Year: 2024, Volume and Issue: 357(10)

Published: July 9, 2024

Globally, breast cancer (BC) has the highest prevalence among malignant diseases. BC is also primary cause of death women. Notably, morbidity been increasing continuously at an approximate growth rate 2.2% per year. Persistent a major public health issue worldwide. Consequently, novel chemotherapeutic agents to combat this lethal disease should be developed urgently. Coumarins with interesting structural and mechanistic variations exhibit promising activity in several forms BC, including BCs multidrug resistance. In particular, coumarin hybrids composed one or more anti-BC pharmacophores can target different biological components cells simultaneously. Thus, are useful scaffolds that help improve efficacy coumarins, reduce side effects, pharmacokinetics, minimize drug-drug interactions, circumvent drug This review, which articles published from 2020 present day have evaluated, highlights landscape therapeutic effects against cancer. These findings aid further investigations on antibreast-cancer therapeutics.

Language: Английский

Citations

0