Calotropis induced Ocular toxicity Insilco Strategy.

Abstract

The Calotropis Procera plant is a soft-wooded evergreen, perennial shrub, and its medicinal value has been described in older pharmacopeias. Accidental contact with Calotropis latex can lead to violent kerato-conjunctivitis, which is associated with corneal edema and significant vision impairment without causing pain. The ocular toxicity is primarily attributed to the alkaloids present in the latex. Our objective is to identify the specific alkaloid responsible for causing ocular toxicity and to investigate the corneal proteins involved in the cause of Ocular toxicity. To achieve this, we conducted Receptor-Ligand molecular docking using Maestro software. In this analysis, the alkaloids Calotoxin, Gigantin, Calotropin, and Calcin were considered as ligands, while different layers of the cornea's proteins serve as receptors. The docking scores were carefully analyzed, and we were able to conclude that Calotoxin exhibited the highest docking score and appeared to bind to numerous corneal proteins.