The cold brain tumor glioblastoma is one of the aggressive cancers that display infiltrative cells and chemoresistance. The reference treatment with Temozolamide unveiled a significant survival rate, while the specific targeted therapy, such as monoclonal antibodies, is hindered by impermeability through the blood-brain barrier. The present study aims to utilize the pharmacology of peptide-ligand conjugates (PLC) as a preferable targeted option for such a complex type of cancer. GGKRPAR and RPARPAR peptides were selected as carriers for antitumor natural products involving gingerol, mangiferin, quercetin, epigallocatechin gallate (EGCG), and curcumin. The ChemOffice 15 package was employed for linking, energy minimization, and DFT calculations. Afterward, docking to two novel targets, FGF2 and CSF1, followed by toxicity and allergenicity assessment. Results showed high docking scores against both targets in the range -7 to -8 kcal/mol. Numerous H-bonds, salt bridges, and hydrophobic forces account for the high docking scores. Furthermore, both peptide carrier was predicted to be safe in terms of toxicity as well as allergenicity. In conclusion, the dual-inhibiting, targeted therapy glorified in the present study shows potential promise in silico against glioblastoma, deserving in vitro as well as in vivo validation assays.
