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2017 ; 17
(15
): 1709-1726
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Bioinformatics and Drug Discovery
#MMPMID27848897
Xia X
Curr Top Med Chem
2017[]; 17
(15
): 1709-1726
PMID27848897
show ga
Bioinformatic analysis can not only accelerate drug target identification and
drug candidate screening and refinement, but also facilitate characterization of
side effects and predict drug resistance. High-throughput data such as genomic,
epigenetic, genome architecture, cistromic, transcriptomic, proteomic, and
ribosome profiling data have all made significant contribution to mechanismbased
drug discovery and drug repurposing. Accumulation of protein and RNA structures,
as well as development of homology modeling and protein structure simulation,
coupled with large structure databases of small molecules and metabolites, paved
the way for more realistic protein-ligand docking experiments and more
informative virtual screening. I present the conceptual framework that drives the
collection of these high-throughput data, summarize the utility and potential of
mining these data in drug discovery, outline a few inherent limitations in data
and software mining these data, point out news ways to refine analysis of these
diverse types of data, and highlight commonly used software and databases
relevant to drug discovery.