|Item||:||Computational Approaches to Nuclear Receptors [Hardcover]|
|Price||:||$205.99 (see below)|
|Publisher||Publisher||:||Royal Society of Chemistry|
Nuclear receptors (NR) are ligand induced activated transcription factors involved in numerous biological processes. This book provides a state of the art review on investigations into modeling nuclear receptors looking at the strengths, weaknesses and limitations of the approaches described. The contents include an introduction to their structure and function, a critical overview of experimental structural data as a base for modeling, the latest in the development of theoretical approaches to nuclear receptors modeling, computational studies of nuclear receptors to predict interactions with small ligands, in vitro and in vivo experiments to validate computational simulations, experimental applications and case studies, and nuclear receptors as targets for endocrine disruptor screening.Nuclear Receptors (NRs) are ligand-induced activated transcription factors that are involved in numerous biological processes. Since the 90's when the first structures were determined by means of X-ray diffraction, the number has increased considerably. Moreover several omics projects have opened up great opportunities for the discovery of new targets, the characterization of abnormal protein patterns, the selection of tailored drugs and the evaluation of drug efficacy even with a lack of structural data. Furthermore, structure-based drug design, computational methods for in silico screening and nanobiotechnology-based tools are simplifying this time-consuming and expensive research of identifying lead compounds and, possibly new drugs. Biological interactions such as those that occur between a protein and ligand are concerted events where flexible molecules interact. Understanding the flexibility of large molecules or biological complexes is of primary importance to help define the right model to approximate the reality for drug discovery, virtual screening and food safety analysis. NRs are known as flexible targets, with many structural similarities, in particular for their Ligal.
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