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Interaction pattern for the complex of B-DNA Fullerene compounds with a set of known replication proteins using docking study
Authors:Sumbul Firdaus  Anupam Dhasmana  Vandana Srivastava  Tasneem Bano  Afreen Fatima  Qazi Mohammad Sajid Jamal  Roshan Jahan  Gulshan Wadhwad  Mohtashim Lohani
Affiliation: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
Abstract:Fullerenes have attracted considerable attention due to their unique chemical structure and potential applications which hasopened wide venues for possible human exposure to various fullerene types. Therefore, in depth knowledge of how fullerene mayinterfere with various cellular processes becomes quite imperative. The present study was designed to investigate how thepresence of fullerene affect the binding of DNA with different enzymes involved in replication process. Different fullerenes werefirst docked with DNA and then binding scores of different enzymes was analyzed with fullerene docked DNA. C30, C40 & C50once docked with DNA, reduced the binding score of primase, whereas no significant change in the binding score was observedwith the helicase, ssb protein, dna pol δ, dna pol ε, ligase, DNA clamp, and topoisomerases. On the contrast, the binding score ofRPA14 decreases in fluctuating manner while interacting with increasing molecular weight of fullerene bound single-strandedDNA complex. The study revealed the affect of fullerene family interacting with DNA on the binding pattern of enzymes involvedin replication process. Study suggests that the presence of most of fullerenes may not affect the activity of these enzymes necessaryfor replication process whereas C30, C40 & C50 may disrupt the activity of primase, (strating point for DNA polymerase) itsdocking score decreases from 13820 to 10702.
Keywords:Fullerene   Fullerene family   RPA   replication enzymes
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