Volume : 7, Issue : 8, AUG 2021

GAMMA-D-CRYSTALLIN EYE LENS PROTEIN IS TARGETED FOR SENILE CATARACT- AN IN SILICO ANALYSIS

KIRUBA RAJAMANI, R. SATHISH KUMAR*

Abstract

Age-related or senile cataract is one of the important reasons for blindness in half of the world. Opacification of the inner core region of the lens that focuses the light on the retina is inevitable with aging. Gamma-D-crystallin protein is present in the middle layer of the lens, which undergoes biochemical and physiological changes leading to opacification of the lens. The primary treatment of senile cataract includes surgery, but surgical treatment is not accessible by most people, so identification of anti-cataract drugs to treat cataract is focused in the present study. The main objective of the present study is to predict the tentative binding parameters like ligand chemistry, receptor flexibility and the scoring function of ligand-receptor complex and predominant binding mode (s) of a ligand with the target protein - Gamma-D-crystallin. Drug compounds are retrieved from the PubChem database. The 3D structure of Gamma-D-crystallin protein was retrieved from the PDB ID 2G98. Drug compounds are screened primarily for ADMETox properties, and docking studies were performed using Glide module of Schrodinger software. Docking studies of 3D model of Gamma-D-crystallin protein with  ligands revealed that most of them have good binding affinity and maximum G score. In particular, the drug compound salsalate showed -9.21 Kcal/mol of G.score and formed 3 numbers of hydrogen bonds with the residues Arg79,Gln54. It is found to have prominent interactions.

Keywords

SENILE CATARACT, GAMMA CRYSTALLIN PROTEIN, EYE LENS PROTEIN, IN SILICO ANALYSIS, DOCKING STUDIES.

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