Insilico and Invitro Studies of Abrin-A Ribosome Inactivating Protein on Candida Albicans

Suma Bhaskar^1,2 and T. R. S. Chouhan³

¹Dr. M.G.R. Educational and Research Institute (Deemed University), Chennai - 600 095 India.

²Department of Physiology, Adichunchanagiri Institute of Medical Sciences, B.G. Nagara - 571 448, Nagamangala Taluk, Mandya District, Karnataka India.

³Ethicamatrix CRO Pvt. Ltd, Erragadda, Hyderabad - 500 038 India.

Corresponding Author E-mail: suma.bhaskar@gmail.com

ABSTRACT: Increased incidence of fungal infections, particularly those caused by yeast species, has resulted in the development and introduction of a number of new antifungal agents. With the growing problem of antifungal drug resistance, there is a need for the development of effective antifungal agents. With easy access to high speed computers and graphic programs, Computer-assisted drug design (CADD) or molecular modeling has become an essential tool in the process of drug designing. In our present study, we have tried to correlate the results of a molecular docking program Hex 5.1 with that of invitro results. Using Hex 5.1 we have docked Abrin holotoxin, a ribosome inactivating protein with galactose, a compound found aplenty in the cell wall matrix of Candida albicans. Since the results showed the formation of receptor-ligand complex with minimal energy (E= -671.72) and least steric hindrances (-1), indicating favorable interactions, we decided to check whether abrin holotoxin would bring about inhibition of growth of C.albicans invitro by disc diffusion assay. The results of invitro experiments however showed no inhibition of growth of C.albicans in culture in any given dilutions of Abrin holotoxin, inferring that favorable insilico results need not always translate into invitro results.

KEYWORDS: Abrin; R.I.P; RCSB PDB; Hex 5.1; docking; Candida albicans; antifungal

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