Targeting VEGFR-2 in breast cancer: synthesis and in silico and in vitro characterization of quinoxaline-based inhibitors DOI Creative Commons
Ibrahim H. Eissa, Alaa Elwan,

Mustafa A. Al-Qadhi

et al.

RSC Advances, Journal Year: 2025, Volume and Issue: 15(17), P. 12896 - 12916

Published: Jan. 1, 2025

Design, synthesis and in vitro silico studies of novel quinoxaline-based derivatives as antitumor VEGFR-2 inhibitors with apoptotic activities.

Language: Английский

Integrated in silico and in vitro exploration of the anti-VEGFR-2 activities of a semisynthetic xanthine alkaloid inhibiting breast cancer DOI Creative Commons
Eslam B. Elkaeed, Hazem Elkady, Ahmed M. Khattab

et al.

PLoS ONE, Journal Year: 2025, Volume and Issue: 20(1), P. e0316146 - e0316146

Published: Jan. 27, 2025

This study presents T-1-NBAB , a new compound derived from the natural xanthine alkaloid theobromine, aimed at inhibiting VEGFR-2, crucial protein in angiogenesis. ’s potential to interacts with and inhibit VEGFR-2 was indicated using silico techniques like molecular docking, MD simulations, MM-GBSA, PLIP, essential dynamics, bi-dimensional projection experiments. DFT experiments utilized also structural electrostatic properties of . Computational analysis performed predict ADME-Tox profiles After semisynthesis, vitro results showed that effectively inhibits an IC 50 0.115 μM, compared sorafenib’s 0.0591 μM. In tests demonstrated significant activity against breast cancer cell lines MCF7 T47D, values 16.88 μM 61.17 respectively, high selectivity. Importantly, induced early late apoptosis cells, indicating its as strong anticancer agent. Additionally, reduced migration healing abilities suggesting it could be promising anti-angiogenic Overall, these findings suggest is lead for further research treatment cancer.

Language: Английский

Citations

0
Anti-breast cancer potential of thieno-pyrimidine derivatives as VEGFR-2 inhibitors DOI
Aisha A. Alsfouk, Maged Mohammed Saleh Al Ward,

Mustafa A. Al-Qadhi

et al.

Future Medicinal Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 1 - 16

Published: March 17, 2025

Background Thieno-pyrimidine derivatives have emerged as promising candidates for VEGFR-2 inhibition. This study aimed to design, synthesize, and evaluate novel thieno-pyrimidine their anti-cancer potential.

Language: Английский

Citations

0
Targeting VEGFR-2 in breast cancer: synthesis and in silico and in vitro characterization of quinoxaline-based inhibitors DOI Creative Commons
Ibrahim H. Eissa, Alaa Elwan,

Mustafa A. Al-Qadhi

et al.

RSC Advances, Journal Year: 2025, Volume and Issue: 15(17), P. 12896 - 12916

Published: Jan. 1, 2025

Design, synthesis and in vitro silico studies of novel quinoxaline-based derivatives as antitumor VEGFR-2 inhibitors with apoptotic activities.

Language: Английский

Citations

0