Design, Synthesis, Computational Studies, and Anti-Proliferative Evaluation of Novel Ethacrynic Acid Derivatives Containing Nitrogen Heterocycle, Urea, and Thiourea Moieties as Anticancer Agents DOI Creative Commons
Abdelmoula El Abbouchi, Khaoula Mkhayar, Souad Elkhattabi

et al.

Molecules, Journal Year: 2024, Volume and Issue: 29(7), P. 1437 - 1437

Published: March 23, 2024

In the present work, synthesis of new ethacrynic acid (EA) derivatives containing nitrogen heterocyclic, urea, or thiourea moieties via efficient and practical synthetic procedures was reported. The synthesised compounds were screened for their anti-proliferative activity against two different cancer cell lines, namely, HL60 (promyelocytic leukaemia) HCT116 (human colon carcinoma). results in vitro tests reveal that 1–3, 10, 16(a–c), 17 exhibit potent line, with values percentage viability ranging from 20 to 35% at 1 μM drug IC50 between 2.37 0.86 μM. Compounds 2 10 showed a very interesting 28 48% μM, respectively, HCT116. Two PyTAP-based fluorescent EA analogues also tested, showing good activity. A test on drug-likeness properties silico all synthetised performed order understand mechanism action most active compounds. molecular docking study conducted human proteins, glutathione S-transferase P1-1 (pdb:2GSS) caspase-3 (pdb:4AU8) as target enzymes. show 3 significant binding modes these This finding provides potential strategy towards developing anticancer agents, newly designed drug-like properties.

Language: Английский

The future of pharmaceuticals: Artificial intelligence in drug discovery and development DOI Creative Commons
Chen Fu, Qi Chen

Journal of Pharmaceutical Analysis, Journal Year: 2025, Volume and Issue: unknown, P. 101248 - 101248

Published: Feb. 1, 2025

Language: Английский

Citations

3
An In Silico Approach to Uncover Selective JAK1 Inhibitors for Breast Cancer from Life Chemicals Database DOI
Sruthy Sathish, Honglae Sohn, Thirumurthy Madhavan

et al.

Applied Biochemistry and Biotechnology, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 6, 2025

Language: Английский

Citations

1
Design, Synthesis, Computational Studies, and Anti-Proliferative Evaluation of Novel Ethacrynic Acid Derivatives Containing Nitrogen Heterocycle, Urea, and Thiourea Moieties as Anticancer Agents DOI Creative Commons
Abdelmoula El Abbouchi, Khaoula Mkhayar, Souad Elkhattabi

et al.

Molecules, Journal Year: 2024, Volume and Issue: 29(7), P. 1437 - 1437

Published: March 23, 2024

In the present work, synthesis of new ethacrynic acid (EA) derivatives containing nitrogen heterocyclic, urea, or thiourea moieties via efficient and practical synthetic procedures was reported. The synthesised compounds were screened for their anti-proliferative activity against two different cancer cell lines, namely, HL60 (promyelocytic leukaemia) HCT116 (human colon carcinoma). results in vitro tests reveal that 1–3, 10, 16(a–c), 17 exhibit potent line, with values percentage viability ranging from 20 to 35% at 1 μM drug IC50 between 2.37 0.86 μM. Compounds 2 10 showed a very interesting 28 48% μM, respectively, HCT116. Two PyTAP-based fluorescent EA analogues also tested, showing good activity. A test on drug-likeness properties silico all synthetised performed order understand mechanism action most active compounds. molecular docking study conducted human proteins, glutathione S-transferase P1-1 (pdb:2GSS) caspase-3 (pdb:4AU8) as target enzymes. show 3 significant binding modes these This finding provides potential strategy towards developing anticancer agents, newly designed drug-like properties.

Language: Английский

Citations

3