Green One-Pot Synthesis of Thiazole Scaffolds Catalyzed by Reusable NiFe2O4 Nanoparticles: In Silico Binding Affinity and In Vitro Anticancer Activity Studies DOI Creative Commons

Satish Gudala,

Archi Sharma,

Aruna Lankada

et al.

ACS Omega, Journal Year: 2024, Volume and Issue: 9(36), P. 38262 - 38271

Published: Aug. 29, 2024

A facile, green, one-pot multicomponent synthesis strategy was employed to fabricate novel thiazole scaffolds incorporating phthalazine, pyridazine, and pyrido-pyridazine derivatives (4a–4o). This synthetic route entailed the reaction of an α-halo carbonyl compound (1) with thiosemicarbazide (2) various anhydrides (3a–3o), utilizing NiFe2O4 nanoparticles as a reusable catalyst in ethanol:water (1:1) solvent system. The cytotoxicity synthesized compounds meticulously assessed against three cancer cell lines, A375, HeLa, MCF-7, employing IC50 values (μM) benchmark, compared reference drug erlotinib. Compound 4n displayed remarkable efficacy A375 (0.87 ± 0.31 μM), HeLa (1.38 1.24 MCF-7 (1.13 0.96 μM) significantly surpassing erlotinib's values. Additionally, 4k, 4l, 4m, 4o demonstrated notable across all tested indicating their potential effective anticancer agents. In silico docking studies Hsp82 Hsp90 proteins indicated that ligands 4c, 4j, 4o, 4l had superior binding affinities ADME analysis showed 4n, favorable pharmacokinetic profiles, including nontoxicity, high human intestinal absorption, low CYP inhibitory promiscuity. Structure–activity relationship revealed cyano benzylidene substitutions enhanced activity. Overall, compounds, particularly efficacy, interactions, promising making them strong candidates for further development

Language: Английский

An Efficient Synthesis of Novel Aminothiazolylacetamido-Substituted 3,5-Bis(arylidene)-4-piperidone Derivatives and Their Cytotoxicity Studies DOI Creative Commons

Thangaiyan Suresh,

Nachiappan Dhatchana Moorthy, Ganesan Karthikeyan

et al.

ACS Omega, Journal Year: 2024, Volume and Issue: 9(27), P. 29244 - 29251

Published: June 26, 2024

The expansion of 3,5-bis(arylidene)-4-piperidone derivatives with heterocyclic compounds such as 1,3-thiazole should take into account this correlation. synthesized aminothiazolylacetamido-substituted 3a–j were found to have GI50 values in the range 0.15–0.28 μM against HeLa and HCT116 cancer cell lines. In silico docking studies confirmed that proteasome inhibition mechanism involves a nucleophilic attack from N-terminal threonine residue β-subunits C═O group compounds. A amide was able interact NH alanine 5g amino thiazole, along an OH serine residue. These results strongly suggest could be potential candidate inhibitor 20S proteasome. molecules developed cytotoxic anticancer agents, revealed by study.

Language: Английский

Citations

5
A self-healing, long-lasting adhesive, lignin-based polyvinyl alcohol organo-hydrogel for strain-sensing applications DOI
Hang An, Peng Yu, Jiaxin Pan

et al.

International Journal of Biological Macromolecules, Journal Year: 2024, Volume and Issue: 279, P. 135509 - 135509

Published: Sept. 8, 2024

Language: Английский

Citations

4
Synthesis, Computational Analysis, and Exploring Antiproliferative Activity of Triazolo- and Thiazolo-Pyrimidine Derivatives as Potential EGFR Inhibitors DOI

A.A. Abdel-Rahman,

M. E. Azab, M.A. Hegazy

et al.

Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: unknown, P. 141789 - 141789

Published: Feb. 1, 2025

Language: Английский

Citations

0
A shorter and alternative route to duvelisib: application in scale-up synthesis DOI

Srinivasa Rao Buddepu,

Ronda Venkateswarlu,

G. Suresh

et al.

Journal of the Indian Chemical Society, Journal Year: 2025, Volume and Issue: unknown, P. 101713 - 101713

Published: April 1, 2025

Language: Английский

Citations

0
Catalytic exploration of new SO3H di-functionalized Brønsted acidic ionic liquid for versatile synthesis of xanthenes DOI
Megha U. Patil, Sachinkumar K. Shinde, Suresh S. Patil

et al.

Journal of the Indian Chemical Society, Journal Year: 2025, Volume and Issue: 102(6), P. 101725 - 101725

Published: April 22, 2025

Language: Английский

Citations

0
Grinding-assisted synthesis of novel arylhydrazono curcumin analogues and bis-pyrazolines as cyclin-dependent kinases (CDKs) inhibitors DOI
Sobhi M. Gomha, Sayed M. Riyadh, Abdel‐Aziz A. A. El‐Sayed

et al.

Inorganic Chemistry Communications, Journal Year: 2024, Volume and Issue: 169, P. 113128 - 113128

Published: Sept. 6, 2024

Language: Английский

Citations

3
Novel Bis-thiazoles with Pyridine and 1,4-Dihydropyridine Linkers as Potential Anti-Alzheimer Agents DOI
Musa A. Said, Sayed M. Riyadh, Nadia S. Al‐Kaff

et al.

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: unknown, P. 140347 - 140347

Published: Oct. 1, 2024

Language: Английский

Citations

2
Synthesis, characterization, and in silico studies of substituted 2,3-dihydro-1,3,4-thiadiazole derivatives DOI Creative Commons
Yasser H. Zaki, Sobhi M. Gomha,

Basant Farag

et al.

Results in Chemistry, Journal Year: 2024, Volume and Issue: unknown, P. 101977 - 101977

Published: Dec. 1, 2024

Language: Английский

Citations

2
Green One-Pot Synthesis of Thiazole Scaffolds Catalyzed by Reusable NiFe2O4 Nanoparticles: In Silico Binding Affinity and In Vitro Anticancer Activity Studies DOI Creative Commons

Satish Gudala,

Archi Sharma,

Aruna Lankada

et al.

ACS Omega, Journal Year: 2024, Volume and Issue: 9(36), P. 38262 - 38271

Published: Aug. 29, 2024

A facile, green, one-pot multicomponent synthesis strategy was employed to fabricate novel thiazole scaffolds incorporating phthalazine, pyridazine, and pyrido-pyridazine derivatives (4a–4o). This synthetic route entailed the reaction of an α-halo carbonyl compound (1) with thiosemicarbazide (2) various anhydrides (3a–3o), utilizing NiFe2O4 nanoparticles as a reusable catalyst in ethanol:water (1:1) solvent system. The cytotoxicity synthesized compounds meticulously assessed against three cancer cell lines, A375, HeLa, MCF-7, employing IC50 values (μM) benchmark, compared reference drug erlotinib. Compound 4n displayed remarkable efficacy A375 (0.87 ± 0.31 μM), HeLa (1.38 1.24 MCF-7 (1.13 0.96 μM) significantly surpassing erlotinib's values. Additionally, 4k, 4l, 4m, 4o demonstrated notable across all tested indicating their potential effective anticancer agents. In silico docking studies Hsp82 Hsp90 proteins indicated that ligands 4c, 4j, 4o, 4l had superior binding affinities ADME analysis showed 4n, favorable pharmacokinetic profiles, including nontoxicity, high human intestinal absorption, low CYP inhibitory promiscuity. Structure–activity relationship revealed cyano benzylidene substitutions enhanced activity. Overall, compounds, particularly efficacy, interactions, promising making them strong candidates for further development

Language: Английский

Citations

0