In vivo evaluation of novel synthetic pyrazolones as CDK9 inhibitors with enhanced pharmacokinetic properties

Future Medicinal Chemistry, Год журнала: 2024, Номер unknown, С. 1 - 19

Опубликована: Ноя. 12, 2024

The structural optimization of our recently reported CDK9 inhibitor to furnish novel aminopyrazolones and methylpyrazolones with improved pharmacokinetics.

Язык: Английский

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Current developments in PI3K-based anticancer agents: Designing strategies, biological activity, selectivity, structure-activity correlation, and docking insight

Bioorganic Chemistry, Год журнала: 2024, Номер 154, С. 108011 - 108011

Опубликована: Ноя. 29, 2024

Язык: Английский

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Synthesis, molecular modeling and bioactivity of new bis-thiazole, thiazole-pyrazole, and thiazole-pyridine analogues

Journal of Saudi Chemical Society, Год журнала: 2023, Номер 27(6), С. 101754 - 101754

Опубликована: Ноя. 1, 2023

Several new thiazole derivatives linked pyrazole and/or pyridine rings were synthesized based on the versatile precursor 2-(5-acetyl-4-methyl-3-phenylthiazol-2(3H)-ylidene)acetonitrile (1). The optimized using DFT approach in order to inspect configurations and energies of HOMO-LUMO orbitals. data disclosed low energy gap (ΔEH-L), 0.99–2.54 eV, following 9 < 3 = 4 ≈ 2 8 5 1 7 6. vitro anticancer activity hybrids was tested against three cancer cell lines (HepG2, HCT-116, MCF-7) as well standard fibroblast cells (WI38) Doxorubicin a reference drug. thiazole-pyridine exhibited high cytotoxic efficacies MCF-7 line, IC50 28.53 ± 0.39 25.47 0.54 µM. Moreover, docked crystal structure (PDB: 3rcd) representative protein for human epidermal growth factor receptor (HER2) approve relationship between cytotoxicity results inhibitor binding interactions. docking study showed that displayed highest score bindings, which compatible with results.

Язык: Английский

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Microwave accelerated green access to functionalized pyrazolo[5,1-b]quinazoline-3-carboxylate scaffold and their pharmacological screening

Journal of Molecular Structure, Год журнала: 2024, Номер 1310, С. 138295 - 138295

Опубликована: Апрель 9, 2024

Язык: Английский

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Synthesis and evaluation of chemical linchpins for highly selective CK2α targeting

European Journal of Medicinal Chemistry, Год журнала: 2024, Номер 276, С. 116672 - 116672

Опубликована: Июль 14, 2024

Casein kinase-2 (CK2) are serine/threonine kinases with dual co-factor (ATP and GTP) specificity, that involved in the regulation of a wide variety cellular functions. Small molecules targeting CK2 have been described literature different binding pockets kinase focus on type I inhibitors such as recently published chemical probe SGC-CK2-1. In this study, we investigated whether known allosteric to pocket adjacent helix αD could be combined ATP mimetic moieties defining novel class competitive compounds unique mode. Linking both sites requires linking moiety would introduce 90-degree angle between ring system moiety, which was realized using sulfonamide. The synthesized were highly selective for constants nM range low micromolar activity. While these need further improved, present work provides structure-based design strategy inhibitors.

Язык: Английский

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Targeting inflammation through inhibition of COX-2 by substituted 4-thiazolidinone analogues: in-vitro, in-vivo and in-silico studies

Journal of Molecular Structure, Год журнала: 2024, Номер 1319, С. 139393 - 139393

Опубликована: Июль 23, 2024

Язык: Английский

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Synthesis, structural mechanisms, RDG, biological and pharmaceutical significance of anticancer agent 9H-carbazole attached 4-chlorobenzaldehyde using DFT reckonings

Journal of the Indian Chemical Society, Год журнала: 2024, Номер 101(11), С. 101343 - 101343

Опубликована: Сен. 5, 2024

Язык: Английский

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Synthesis and Evaluation of Thiazolyl-indole-2-carboxamide Derivatives as Potent Multitarget Anticancer Agents

ACS Omega, Год журнала: 2024, Номер 9(40), С. 41944 - 41967

Опубликована: Сен. 24, 2024

Cancer is a complex disease driven by the dysregulation of multiple signaling pathways and cellular processes. The development compounds capable exerting multitarget actions against these key involved in cancer progression promising therapeutic approach. Here, series novel (

Язык: Английский

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Novel Quinolin-4-ylcarbonylhydrazine Having N-(3-Arylacryloyl) Moiety: Design, Synthesis and Biological Evaluation as Potential Cytotoxic Agents against MDA-MB-231 via Tubulin Assembly Inhibition

Journal of Molecular Structure, Год журнала: 2024, Номер 1321, С. 140214 - 140214

Опубликована: Сен. 27, 2024

Язык: Английский

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Alkaloids as Additional Weapons in the Fight against Breast Cancer: A review

Current Medicinal Chemistry, Год журнала: 2023, Номер 31(32), С. 5113 - 5148

Опубликована: Сен. 13, 2023

Breast carcinoma is among the most frequent cancerous tumour in females around globe. The major modalities now employed therapeutic management of breast cancer include surgeries, chemotherapy, and specialized medicines. Despite their potential to help individuals' problems, they are also associated with many negative impacts. As a result, natural products increasingly regarded be preferable alternative. Alkaloids essential biochemical substances that can used develop new drugs. Numerous alkaloids originate from plants have been shown

Язык: Английский

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