Background: Cancer is a very serious public health problem ranking as the second leading
cause of death worldwide. Angiogenesis plays a vital role as a prerequisite for tumor growth and
metastasis, and is indispensable in the further stage advancement of cancer.
Objective: Targeting several enzymes and receptors in angiogenesis’ signal transduction pathway
will likely offer many more prospects for successful and superior therapeutic intervention.
Methods: Thus, druggable targets in the angiogenesis pathway such as pro-MMP9, MMP-9, EGFR,
VEGF-A, VEGFR-1, VEGFR-2, c-MET kinase, KIT kinase, CSF1R, TIE-2, and RET tyrosine
kinase were the subject of this molecular docking study involving Alpinumisoflavone (AIF), a
multi-targeted natural product with known anticancer activities.
Results: The results showed that AIF exhibited good binding affinity with all the selected key
angiogenesis promoting proteins with greatest in silico activity in MMP-9 and VEGFR-2. Moreover,
in silico ADMET studies showed that AIF has good intestinal absorption property and solubility, and
very low probability of being carcinogenic, mutagenic, and toxic to embryo or fetus.
Conclusion: Molecular docking study revealed that Alpinumisoflavone (AIF) could serve as a
promising lead in the development of angiogenesis (multikinase) inhibitor based on its predicted
binding affinity with vital angiogenesis targets.