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Computational identification of potential VEGFR2 inhibitors using integrated pharmacophore modeling, QSAR analysis, molecular docking, dynamics simulation, and virtual screening followed by in vitro bioassays

O. Meziani Samira Ait Kaki F. Ferkous Khairedine Kraim Faycal Layachi Y. Saihi T. Küçükkılınç Seyhan Türk
Aug 2026 · Journal of Computer-Aided Molecular Design · Vol 40 · 0 citations · 61 references
Medicine

TL;DR

Several structurally novel compounds are identified as promising potential VEGFR2 inhibitors and supports the effectiveness of integrating pharmacophore modeling, QSAR analysis, molecular docking, and experimental validation for anticancer drug discovery.

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