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Updated: Apr 27, 2026
A Simple Bioassay for the Evaluation of Vascular Endothelial Growth Factors
Published on: March 15, 2016
In-silico screening and in-vitro validation of Vascular Endothelial Growth Factor Receptor-2 (VEGFR-2) inhibitors
Deepika Saraswat1, Sarita Nehra1, Kamal Kumar Chaudhary2
1Department of Experimental Biology, Defence Institute of Physiology and Allied Science, Defence Research and Development Organization, Lucknow Road, Timarpur, New Delhi- 54, India.
Abstract:
VEGFR-2 tyrosine kinase receptor draws attention of the scientific fraternity in drug discovery for its important role in cancer, cardiopulmonary, cardiovascular diseases etc. Hence there is a need for novel VEGFR-2 inhibitors screening and testing for their biological activities. The 3D-structure was collected from PDB and stability was checked by using WHATIF and PROCHECK programs and subjected for virtual screening on Zinc database. We used virtual screening method to screen new VEGFR-2 blocker molecules based on their binding energies and then docked with active site on the receptor with the help of AUTODOCK software. Based on the results obtained top three molecules (VRB1-3) were selected and tested in Cardiomyocytes H9c2 cells for cell viability under hypoxic condition. The invitro studies showed VRB2 as the best molecule among the selected three molecules as well as with a standard commercial drug Sunitinib.
Insights
Novel drug candidates targeting VEGFR-2 were identified through virtual screening. VRB2 demonstrated superior efficacy in protecting cardiomyocytes from hypoxic damage compared to Sunitinib.
Area of Science:
- Biochemistry
- Pharmacology
- Computational Chemistry
Background:
- Vascular Endothelial Growth Factor Receptor 2 (VEGFR-2) is a key target in drug discovery for cancer and cardiovascular diseases.
- Developing novel VEGFR-2 inhibitors is crucial for therapeutic advancements.
Purpose of the Study:
- To screen and identify novel small molecules that inhibit VEGFR-2 activity.
- To evaluate the efficacy of identified compounds in protecting cardiomyocytes under hypoxic stress.
Main Methods:
- Acquired VEGFR-2 3D structure from PDB; validated using WHATIF and PROCHECK.
- Performed virtual screening on the Zinc database using AUTODOCK for molecular docking.
- Tested top three docked molecules (VRB1-3) for cell viability in H9c2 cardiomyocytes under hypoxia.
Main Results:
- Virtual screening identified potential VEGFR-2 inhibitor candidates based on binding energies.
- VRB2 showed the highest efficacy in protecting H9c2 cells from hypoxia-induced damage.
- VRB2 outperformed the standard drug Sunitinib in in vitro cell viability assays.
Conclusions:
- VRB2 is a promising novel inhibitor of VEGFR-2 with potential therapeutic applications.
- The virtual screening approach effectively identified potent drug candidates for VEGFR-2 related diseases.
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