Interaction of Ribosome Inactivating Proteins with Growth Factor Receptors - a Cheminformatic Approach

Sumasridhar^1,2, L. M. S. Rudrammaji^³, Anna Balaji⁴ and T. R. S. Chouhan⁵

^¹Dr. MGR Educational and Research Institute (Deemed University), Chennai .

^²Department of Biochemistry, Dayananda Sagar College of Dental Sciences, Kumaraswamy layout, Bangalore .

^³Department of Biotechnology, Sri Jayachamarajendra College of Engineering, Mysore .

⁴Dayananda Sagar College of Pharmacy, Kumaraswamy layout, Bangalore .

⁵Director (Technical), Ethicamatrix, Hyderabad

Abstract: Protein interactions are the basis of life processes at the nano level. Most of the protein interactions are with other proteins. Thus efforts to recreate the network of protein-protein interactions are important for interpretation. Our study has such protein-protein interactions with a computational approach directly targeting ligand-receptor interactions through docking method and simulating the binding. Insilico studies on interaction of Ribosome Inactivating Proteins (RIP) with various growth factor receptors suggests “First approximation” for invitro studies. Docking of Ricin and Abrin polypeptide chains with Epidermal growth factor receptor and Fibroblast growth receptor was done by using Hex programme. This high throughput docking studies indicate results in terms of energy values. The interaction between the ligand and the receptor with minimal energy value is the best pair. Accordingly, the best docking results were obtained for interaction of the pairs,Ricin B chain - Epidermal growth factor receptor, Ricin B chain - Fibroblast growth factor receptor, Abrin - Epidermal growth factor receptor, Abrin - Fibroblast growth factor receptor with an Etotal values of -562.43, -427.77, -511.13 and -490.48 respectively.

Keywords: Epidermal Growth Factor Receptor (EGFR); Fibroblast Growth Factor Receptor (FGFR); Docking

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