Anticancer Effects with Molecular Docking Confirmation of Newly Synthesized Isatin Sulfonamide Molecular Hybrid Derivatives against Hepatic Cancer Cell Lines

Biomedicines, Год журнала: 2022, Номер 10(3), С. 722 - 722

Опубликована: Март 20, 2022

The current study investigated the cytotoxic effect of ten sulfonamide-derived isatins, following molecular hybridization, based on association principles, hepatocellular carcinoma (HCC) HepG2 and Huh7 cell lines, compared for safety using human normal retina pigmented epithelial (RPE-1) cells. compounds showed variable in vitro cytotoxicity cells, MTT assay. Four (4/10) were highly to both HuH7. However, only 3 these 4 highest margin RPE-1 cells

Язык: Английский

---

Emerging impact of triazoles as anti-tubercular agent

European Journal of Medicinal Chemistry, Год журнала: 2022, Номер 238, С. 114454 - 114454

Опубликована: Май 13, 2022

Язык: Английский

---

A Mini Review on Pharmacological Significance of Isatin-1,2,3-Triazole Hybrids

Current Topics in Medicinal Chemistry, Год журнала: 2023, Номер 23(10), С. 833 - 847

Опубликована: Фев. 3, 2023

Abstract: Molecular hybridization is one of the recent stratagems in medicinal chemistry to synthesize a novel hybrid molecule having better affinity and efficacy by combining two or more pharmacophoric moieties. hybridization, i.e., linker framework integration technique, can be used connect components. It has often been found that compounds perform effectively possess lower toxicity than their parent molecules. In order create new generation effective safe therapeutic candidates, such as anti-cancer, anti-viral, anti-HIV, antioxidant, antibacterial, for variety frontline diseases, several articles have published discuss molecular preclinically clinically proven compounds. Isatin its derivatives studied extensively due diversified biological activities, including antitumor, antimicrobial, anti-inflammatory, analgesic, antiviral, anticonvulsant, etc. Similarly, 1,2,3-triazoles received significant interest bio-isostere generating large number pharmaceutically As it possesses physiochemical properties, hydrogen bond formation capacity, ease synthesis, moderate dipole moment, stability towards acidic/basic hydrolysis, inertness oxidizing/ reducing agents, good binding potential with targets, triazole an important choice chemists medication development. The aim current review summarize research showing pharmacological significance molecules containing isatin 1,2,3-triazole present may assist designing synthesizing isatin-1,2,3-triazole hybrids low cytotoxicity.

Язык: Английский

---

Identification of new anti-mycobacterial agents based on quinoline-isatin hybrids targeting enoyl acyl carrier protein reductase (InhA)

Bioorganic Chemistry, Год журнала: 2024, Номер 144, С. 107138 - 107138

Опубликована: Янв. 20, 2024

Язык: Английский

---

Novel isatin–triazole based thiosemicarbazones as potential anticancer agents: synthesis, DFT and molecular docking studies

RSC Advances, Год журнала: 2024, Номер 14(20), С. 14051 - 14067

Опубликована: Янв. 1, 2024

Synthesis of mono- and bis-thiosemicarbazones 4a–h 5a–h isatin–triazole hybrids 3a 3b in turn accessed via CuAAC, their DFT studies potential as phosphoinositide 3-kinase (PI3K) inhibitors has been evaluated this study.

Язык: Английский

---

Design, synthesis, in vitro and in silico evaluations of new isatin-triazine- aniline hybrids as potent anti- Alzheimer multi-target directed lead compounds

Bioorganic Chemistry, Год журнала: 2024, Номер 147, С. 107355 - 107355

Опубликована: Апрель 16, 2024

Язык: Английский

---

Effects of electron donating and withdrawing substituents on crystal structures, cytotoxicity and in silico DNA interactions of isatinoxime Schiff base ligands

Research on Chemical Intermediates, Год журнала: 2025, Номер unknown

Опубликована: Янв. 13, 2025

Язык: Английский

---

Synthesis, Computational, and Photophysical Probing Interactions of Novel Isatin‐Incorporated Thiazolyl‐Coumarins as Potent Antitubercular Agents

ChemistrySelect, Год журнала: 2025, Номер 10(10)

Опубликована: Март 1, 2025

Abstract In this work, we reported the synthesis of a novel series isatin‐incorporated thiazolyl‐coumarin derivatives 4(a–h) by one‐pot three‐component reaction substituted isatin, thiosemicarbazide, and 3‐(2‐bromoacetyl) coumarin. The structures coumarin‐thiazole scaffolds were precisely established their IR, NMR, HRMS spectral data. UV–Vis absorption study target molecules was investigated in six different solvents. Geometrical optimization, molecular electrostatic potential regions, quantum chemical parameters assessed using density functional theory (DFT) to explore electronic properties derivatives. synthesized compounds screened for vitro antimycobacterial activity against Mycobacterium tuberculosis ; all exhibited excellent antitubercular efficacy with MIC ≤ 3.25 µg/mL; among them, 4c 4f most potent 1.56 µg/mL. Furthermore, silico docking analyses enoyl‐ACP reductase (InhA) enzyme conducted; ligands demonstrated favorable binding interactions within active site InhA enzyme.

Язык: Английский

---

The Effect of 1,2,4-Triazole-3-thiol Derivatives Bearing Hydrazone Moiety on Cancer Cell Migration and Growth of Melanoma, Breast, and Pancreatic Cancer Spheroids

Pharmaceuticals, Год журнала: 2022, Номер 15(8), С. 1026 - 1026

Опубликована: Авг. 20, 2022

4-Phenyl-3-[2-(phenylamino)ethyl]-1H-1,2,4-triazole-5(4H)-thione was used as a starting compound for the synthesis of corresponding 1,2,4-triazol-3-ylthioacetohydrazide, which reacts with isatins and various aldehydes bearing aromatic heterocyclic moieties provided target hydrazones. Their cytotoxicity tested by MTT assay against human melanoma IGR39, triple-negative breast cancer (MDA-MB-231), pancreatic carcinoma (Panc-1) cell lines. The selectivity compounds towards cells also studied. In general, synthesized were more cytotoxic line. N'-(2-oxoindolin-3-ylidene)-2-((4-phenyl-5-(2-(phenylamino)ethyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, N'-((1H-pyrrol-2-yl)methylene)-2-((4-phenyl-5-(2-(phenylamino)ethyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide N'-(2-hydroxy-5-nitrobenzylidene)-2-((4-phenyl-5-(2-(phenylamino)ethyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide identified most active among all in 3D cultures. N'-(4-(dimethylamino)benzylidene)-2-((4-phenyl-5-(2-(phenylamino)ethyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide inhibited migration, characterized relatively selective cells, could be further an antimetastatic candidate.

Язык: Английский

---

Phenoxy pendant isatins as potent α-glucosidase inhibitors: reciprocal carbonyl⋯carbonyl interactions, antiparallel π⋯π stacking driven solid state self-assembly and biological evaluation

RSC Advances, Год журнала: 2022, Номер 12(32), С. 20919 - 20928

Опубликована: Янв. 1, 2022

Carbonyl-carbonyl (CO⋯CO) interactions are recently explored noncovalent of significant interest owing to their role in the stability biomacromolecules. Currently, substantial efforts being made understand nature these interactions. In this study, twelve phenoxy pendant isatins 1-12 have been evaluated for α-glucosidase inhibitory potential addition analysis X-ray single crystals 4 and 9. Both compounds 9 showed intriguing unique self-assembled structures. The CO⋯CO antiparallel displaced π⋯π stacking mainly involved formation 1D-stair like supramolecular chains whereas drive 1D-columnar stacks These not only highlight isatin moiety forming strong but also interesting models provide considerable insight into

Язык: Английский

---