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

Department Of Physics, Integral University, Lucknow, India ,Sumbul Firdaus,Anupam Dhasmana,Mohtashim Lohani,Gulshan Wadhwad,Tasneem Bano,Vandana Srivastava, ,Afreen Fatima,Roshan Jahan,Qazi Jamal,Departments Of Biosciences, Integral University, Lucknow, India ,Departments Of Bioengineering, Integral University, Lucknow, India

doi:10.6026/97320630011122

Abstract

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 ε, 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.

Highlights

Nanotechnology, means the exploitation of the substances at their nano-meter size, and is expected to enhance the quality of life and economic development on the global basis
Fullerene-DNA complexes were used as a receptor and enzymes involved in replication process as a ligand to show the effects of fullerenes on the DNA replication process
Each of these enzymes involved in replication process were separately docked with DNA alone i.e. in the absence of fullerene

Summary

Introduction

Nanotechnology, means the exploitation of the substances at their nano-meter size, and is expected to enhance the quality of life and economic development on the global basis. Out of surplus of size-dependant physical properties of nanomaterials like optical and magnetic effects have been exploited for a number of biological/medical applications, e.g.: their use as fluorescent biological labels for the drug and gene delivery, Probing of DNA structure, for the treatment of cancer, for the separation and purification of biological molecules and cells etc. These unlimited advantages of nanoparticles lead to thier mass-production, making the exposure of almost enevitable. Nanoparticles could enter the body through the ISSN 0973-2063 (online) 0973-8894 (print)

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