Synthesis, Anticancer Screening, and In Silico Evaluations of Thieno[2,3-c]pyridine Derivatives as Hsp90 Inhibitors

Pharmaceuticals, Journal Year: 2025, Volume and Issue: 18(2), P. 153 - 153

Published: Jan. 24, 2025

Background: Thieno[2,3-c]pyridines and their analogs are not well explored for anticancer properties. Hence, our research aimed to establish the potential of thieno[2,3-c]pyridines through cell-based assays in silico evaluations. Methods: Thieno[2,3-c]pyridine derivatives 6(a–k) were synthesized characterized using FT-IR, 1H-NMR, 13C-NMR, HRMS. All compounds screened initially activity against MCF7 T47D (breast cancer), HSC3 (head neck RKO (colorectal cancer) cell lines MTT assay. Apoptosis cycle analyses conducted Annexin V/propidium iodide (PI) double staining apoptosis assessment PI analysis investigate mechanisms underlying reduced viability. In molecular docking was accomplished Hsp90 determined pharmacokinetics Results: From screening assay, 6a 6i identified as inhibitors further subjected IC50 determination. The compound showed potent inhibition (IC50 = 10.8 µM), 11.7 12.4 µM) lines, all which indicated a broad spectrum activity. Notably, found induce G2 phase arrest, thereby inhibiting progression. Molecular results crucial interactions ligands target Hsp90. Conclusion: induced death via that different from apoptosis. Thus, thieno[2,3-c]pyridine can be suitable lead optimized obtain agents inhibition.

Language: Английский

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Synthesis of 4-Diazocyclohexane-Based Sulfonamide Drug scaffolds: Investigating Enzyme Inhibition, Antioxidant, and ADMET properties

Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: unknown, P. 141708 - 141708

Published: Feb. 1, 2025

Language: Английский

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Crystal growth of Piperazine and a dual approach to electron density mapping and bonding insights

Journal of Materials Science Materials in Electronics, Journal Year: 2025, Volume and Issue: 36(6)

Published: Feb. 1, 2025

Language: Английский

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Design and Synthesis of Novel Coumarin-Piperazine Derivatives as Potential Antimicrobial Agents

Asian Journal of Chemistry, Journal Year: 2025, Volume and Issue: 37(4), P. 858 - 864

Published: March 29, 2025

Coumarin piperazine acetamide analogues have shown great potential as drug candidates due to their wide range of biological activities. A series novel coumarin-piperazine derivatives were synthesized and performed the in vitro antibacterial activity ADME profiling. Compounds MS1, MS2, MS5 MS6 exhibited docking scores higher than standard ranging from -8.6 -7.6 Kcal mol-1. Compound showed best zone inhibition, measuring 17 mm at 150 µg/mL against Staphylococcus epidermidis. Molecular study compound suggest that presence halogen on aromatic ring, attached might responsible for a good potential. profiling compounds log S ESOL value between -2.39 -4.52, number H bond acceptors 4-5, No. donors 1, high GIT absorption adhered Lipinski, Ghose Veber drug-likeness rules.

Language: Английский

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Silver-Catalyzed Formal [3 + 3] Heteroannulation of Aziridines with 3-Aminoacrylates via Ring-Opening and C–H Amination: Access to 1,4,5,6-Tetrahydropyrazines

Organic Letters, Journal Year: 2025, Volume and Issue: unknown

Published: April 17, 2025

Direct construction of the piperazine scaffolds with multiple functionalities remains important yet challenging. Herein, a silver-catalyzed formal [3 + 3] heteroannulation aziridines 3-aminoacrylates via ring-opening and vinyl C(sp2)-H amination for direct synthesis tetrasubstituted 1,4,5,6-tetrahydropyrazines is reported. Upon catalytic activation silver Lewis acid, this protocol enables formation two new C-N bonds through selective nucleophilic C-H aminative cyclization cascades, featuring broad substrate scope good functional group tolerance excellent selectivity.

Language: Английский

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A Comprehensive on Synthesis and Antimicrobial Evaluation of Substituted-Arylideneamino-5-(5-Chlorobenzofuran-2-yl)-1, 2, 4-Triazole-3-Thiol Derivatives/ Schiff Bases

Journal of Fluorescence, Journal Year: 2024, Volume and Issue: unknown

Published: July 10, 2024

Language: Английский

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Antitüberküler Bileşiklerde Piperazin Yapısı

Hacettepe University Journal of the Faculty of Pharmacy, Journal Year: 2024, Volume and Issue: 44(3), P. 275 - 288

Published: Aug. 12, 2024

Tüberküloz, Mycobacterium tuberculosis basilinin sebep olduğu öldürücü, bulaşıcı bir hastalıktır. Çoklu ilaca dirençli tüberküloz suşlarının ortaya çıkması hastalığın tedavisini zorlaştırmıştır. Bu nedenle ilaç direncinin üstesinden gelebilecek ve düşük yan etkili güçlü antitüberküler bileşiklerin geliştirilmesi acil ihtiyaçtır. Piperazin, iki adet azot atomu ile birbirine bağlı metilen grubundan oluşan siklik yapıdır. FDA tarafından onaylanan ilaçlarda piperazin yapısı en çok kullanılan heterosiklik halkalardan biridir. Piperazin türevleri, çeşitli farmakolojik etkilere sahip birçok bileşiğin yapısında yer almaktadır. Rifampisin, siprofloksasin ofloksasin taşıyan ilaçlardan bazılarıdır. derleme, içeren ilaçlar üzerinde yapılan son araştırmaları gözden geçirmekte yenilikçi tasarımına yardımcı olmayı amaçlamaktadır.

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Repositioning anthelmintics for the treatment of inflammatory-based pathological conditions

Inflammopharmacology, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 26, 2024

Language: Английский

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