Interaction pattern for the complex of B-DNA-Fullerene compounds with a set of known replication proteins using docking study



Sumbul Firdaus1, Anupam Dhasmana2, Vandana Srivastava2, Tasneem Bano2, Afreen Fatima2, Qazi Mohammad Sajid Jamal3, Roshan Jahan3, Gulshan Wadhwad4 & Mohtashim Lohani3*




1Department of Physics, Integral University, Lucknow, India; 2Departments of Bioengineering, Integral University, Lucknow, India; 3Departments of Biosciences, Integral University, Lucknow, India; 4Department of Biotechnology, Ministry of Science and Technology, CGO complex, Lodhi Road, New Delhi-110003, India



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Received January 21, 2015; Accepted February 23, 2015; Published March 31, 2015



Fullerenes have attracted considerable attention due to their unique chemical structure and potential applications which has opened wide venues for possible human exposure to various fullerene types. Therefore, in depth knowledge of how fullerene may interfere with various cellular processes becomes quite imperative. The present study was designed to investigate how the presence of fullerene affect the binding of DNA with different enzymes involved in replication process. Different fullerenes were first docked with DNA and then binding scores of different enzymes was analyzed with fullerene docked DNA. C30, C40 & C50 once docked with DNA, reduced the binding score of primase, whereas no significant change in the binding score was observed with the helicase, ssb protein, dna pol δ, dna pol ɛ, ligase, DNA clamp, and topoisomerases. On the contrast, the binding score of RPA14 decreases in fluctuating manner while interacting with increasing molecular weight of fullerene bound single-stranded DNA complex. The study revealed the affect of fullerene family interacting with DNA on the binding pattern of enzymes involved in replication process. Study suggests that the presence of most of fullerenes may not affect the activity of these enzymes necessary for replication process whereas C30, C40 & C50 may disrupt the activity of primase, (strating point for DNA polymerase) its docking score decreases from 13820 to 10702.  



Fullerene, Fullerene family, RPA, replication enzymes.



Firdaus et al.   Bioinformation 11(3): 122-126 (2015)

Edited by

P Kangueane






Biomedical Informatics



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