![Sample our Bioscience journals, sign in here to start your access, Latest two full volumes FREE to you for 14 days]({"type":"image" , "src" : "/sda/5925/TOC-Subject-Sample-2021-Bioscience.jpg"})
Abstract
RNA interference (RNAi) has been of interest given its role in genetic interference. More significantly, recent studies provided evidence of it being one of the antiviral response mechanisms in humans. Argonaute (Ago) protein plays a central role in the RNA-induced silencing complex (RISC) that cleaves mRNA. Molecular crowding in cellular systems is known to impact dynamics and interactions of biomolecules. We present here the results from our molecular dynamics simulations based study on the interfaces between Ago, miRNA and Target RNA in presence of molecular crowders. 6 simulations at 3 crowder concentrations, including the aqueous condition, were performed. Our results indicate that crowding changes the dynamics, makes the complex stabler and aids binding free energy. More importantly, features conserved across the three systems and amino acid residues with crowding resilient interactions with RNA are identified.
Communicated by Ramaswamy H. Sarma
Acknowledgements
We thank the Central Computing Facility of the Indian Institute of Information Technology - Allahabad for computational facilities. It is a pleasure to thank Mr. Suprateek Chatterjee for their help in proof reading the manuscript. DC also thanks M.H.R.D (India) for the fellowship.
Disclosure statement
No potential conflict of interest was reported by the author(s).