Protein-Peptide Interactions in Regulatory Events

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Abstract

A central problem of systems biology is to correlate set of protein-protein interaction (PPI) network with regulatory processes inside the cell. These interactions serve as promising therapeutic targets, offering a possibility to disrupt key mediating interactions and specifically downregulating the regulatory processes. Experimental high-throughput methods to characterize PPIs have limited interactome coverage and suffer from high degree of false positive rates. Computational approaches and structural characterization to predict interaction sites and hot-spot residues is a step forward to design peptide or peptidomimetic agents. Structural studies of the interface residues and their conformational preferences provide additional information for fine-tuning the design. The present discussion outlines computational methods and tools to characterize and delineate protein-peptide interactions, a subclass of protein-protein interactions.

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Dr. U.S. Raghavender did his Masters in Physics (specialization in Condensed Matter Physics) from the University of Hyderabad and obtained his PhD in Biocrystallography of Designed Peptides from the Indian Institute of Science (IISc, Bangalore) in 2010. He did his post-doctoral studies in Stanford Research International – Center for Advanced Drug Research (USA), National Center for Biological Sciences (NCBS-TIFR, Bangalore, India) and The Hebrew University of Jerusalem (Israel) in the area of computational studies involving protein-peptide interactions. He has expertise in peptide design, conformational analysis and computational studies of peptide mediated interactions. His research interests include applying computational approaches to studying transient protein-protein and protein-peptide interactions. His interests also span in studying genomes and transcriptomes of medicinally important plants. He is a recipient of award of Young Scientist Scheme of Science and Engineering Research Board (Department of Science & Technology, Government of India).

Dr. R.S. Rathore obtained M. Phil. In 1991 from Devi Ahilya University, Indore and PhD in 1999 from Indian Institute of Science, Bangalore, India, in Structural Biology in the area of X-ray crystallography and peptide de novo design. He further pursued postdoctoral work on protein crystallography and peptide design at the University of Texas Medical Branch at Galveston, USA. He is currently working as a Professor in the School of Earth, Biological and Environmental Sciences, Central University of South Bihar, Gaya, India. Rathore earlier worked in University of Hyderabad, India and Schrödinger Inc. (USA). His main interests are protein modelling and design and Free Energy Perturbation method for lead optimizations. He has published 95 articles in peer reviewed journals.

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