In silico docking studies of RP2 (X-Linked retinitis pigmentosa) protein using anthocyanins as potential inhibitors

  • Sathyan Sri Lavvanya Priya Department of Biotechnology, Anna University Chennai, Regional Center,Coimbatore 641047
  • Ponnusamy Renuka Devi Department of Biotechnology, Anna University Chennai, Regional Center,Coimbatore 641047
  • Arumugham Madeswaran Department of Pharmacology, College of Pharmacy, Sri Ramakrishna Institute of Paramedical Sciences, 395, Sarojini Naidu Road, Siddhapudur, Coimbatore 641 044
Keywords: Anthocyanins, Cyanidin 3, 5 Diglucoside, Flavonoids, Syzygium cumini,

Abstract

Mutations occurring in X-Linked retinitis pigmentosa (RP2) gene causes retinal damage, ultimately leading to vision loss. Owing to the complications of the disease, there is no effective treatment till date. In the present study, we have refined the crystal structure of RP2 using protein preparation wizard of Glide software. Active site of the protein was predicted with SiteMap program. Five anthocyanin compounds from Syzygium cumini fruit peel were docked into the active site of RP2. Molecular docking calculations were performed by employing Glide XP algorithm. Cyanidin 3,5 diglucoside with lowest Gscore (-12.62 kcal/mol) was rescored subsequently with Prime-MMGBSA binding free energy calculations. Binding affinity (-93.62 kcal/mol) of the inhibitor suggests its potential use in the treatment of retinitis pigmentosa.

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Author Biographies

Sathyan Sri Lavvanya Priya, Department of Biotechnology, Anna University Chennai, Regional Center,Coimbatore 641047
Research scholar
Ponnusamy Renuka Devi, Department of Biotechnology, Anna University Chennai, Regional Center,Coimbatore 641047
Assistant professor
Arumugham Madeswaran, Department of Pharmacology, College of Pharmacy, Sri Ramakrishna Institute of Paramedical Sciences, 395, Sarojini Naidu Road, Siddhapudur, Coimbatore 641 044
Lecturer

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Published
2013-06-30
How to Cite
Sri Lavvanya Priya, S., P. Renuka Devi, and A. Madeswaran. “In Silico Docking Studies of RP2 (X-Linked Retinitis Pigmentosa) Protein Using Anthocyanins As Potential Inhibitors”. Bangladesh Journal of Pharmacology, Vol. 8, no. 3, June 2013, pp. 292-9, doi:10.3329/bjp.v8i3.15110.
Section
Research Articles