In-silico Design, Synthesis and Evaluation of Novel Pyrazine-coumarin Hybrid Derivative as Egfr Inhibitors for Glioblastoma Therapy
Year: 2026
Type: article
Abstract: ABSTRACTGlioblastoma (GBM) is an aggressive primary brain tumour associated with tumourheterogeneity, resistance to therapy and limited drug deliveryacross the blood–brain barrier.Epidermal growth factor receptor (EGFR) alterations contribute to GBM growth and survival,making EGFR animportant target for anticancer drug discovery. This study aimed to designpyrazine–coumarin hybrid derivatives, assess their drug-likeness,evaluate their predictedbinding to EGFR by molecular docking, and synthesize and preliminarily characterize aselected compound. Ten analogues(PC1–PC10) were drawn using ChemSketch and assessedusing SwissADME. All ten compounds showed zero violations of Lipinski’s Rule of Five.Docking against EGFR (PDB ID: 8SC7) gave PC1 the most favourable score (-8.1),compared with erlotinib (-6.7) in the reported docking results.A selected pyrazine–coumarinester was synthesized and examined by thin-layer chromatography (TLC) and melting-pointdetermination; itsreported melting point was 150°C, while 7-hydroxy-4-methylcoumarinmelted at 115°C. These preliminary computational and physicochemicalfindings identify PC1as a candidate for further investigation. Docking scores and basic characterization alone donot establish EGFR inhibition oranti-glioblastoma efficacy; these require further analyticaland biological validation.
Source: Degrés
Language: English
Subfield: Organic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: hybrid
OpenAlex ID: W7225778489
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