Protein–ligand interaction studies of retinol-binding protein 3 with herbal molecules using AutoDock for the management of Eales’ disease

• DOI: 10.1007/s12177-012-9098-6
• Publication Date: 2012-12-29T07:09:48Z
• Authors: Anshul Tiwari; Sandeep Saxena; A. B. Pant; Prachi Srivastava
• Keywords: AutoDock; Retinol binding protein

Eales' disease is an idiopathic retinal vasculitis of the eye. The predominantly characterized by recurrent vitreous hemorrhage. Interphotoreceptor retinol-binding protein 3 plays a significant role in etiopathogenesis this condition. It transports retinoids between pigment epithelium and photoreceptors; hence, potential target for docking studies. In silico data reveal that herbal molecules interact with regulatory domains interphotoreceptor (IRBP-3), resulting into score also forms H-bond several hydrophobic interactions active residues IRBP-3. These may lead to conformational change particular portion protein. This efficacy suitability ligand was determined on basis binding energy calculations. Ginkgolide showed minimum calculations among selected 10 other natural ligands. fact virtual screening can give new insights toward therapeutic intonations alterations advances treatment disease.