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Báo cáo y học: "Distribution patterns of small-molecule ligands in the protein universe and implications for origin of life and drug discovery"

Tuyển tập các báo cáo nghiên cứu về y học được đăng trên tạp chí y học Critical Care giúp cho các bạn có thêm kiến thức về ngành y học đề tài: Distribution patterns of small-molecule ligands in the protein universe and implications for origin of life and drug discovery. | Open Access Research Distribution patterns of small-molecule ligands in the protein universe and implications for origin of life and drug discovery Hong-Fang Ji De-Xin Kong Liang Shen Ling-Ling Chen Bin-Guang Ma and Hong-Yu Zhang Address Shandong Provincial Research Center for Bioinformatic Engineering and Technique Center for Advanced Study Shandong University of Technology Zibo 255049 PR China. Correspondence Hong-Yu Zhang. Email zhanghy@sdut.edu.cn Published 29 August 2007 Genome Biology 2007 8 R176 doi l0.ll86 gb-2007-8-8-rl 76 The electronic version of this article is the complete one and can be found online at http genomebiology.com 2007 8 8 R176 Received 4 February 2007 Revised 22 August 2007 Accepted 29 August 2007 2007 Ji et al. licensee BioMed Central Ltd. This is an open access article distributed under the terms of the Creative Commons Attribution License http creativecommons.org licenses by 2.0 which permits unrestricted use distribution and reproduction in any medium provided the original work is properly cited. Abstract Background Extant life depends greatly on the binding of small molecules such as ligands with macromolecules such as proteins and one ligand can bind multiple proteins. However little is known about the global patterns of ligand-protein mapping. Results By examining 2 186 well-defined small-molecule ligands and thousands of protein domains derived from a database of druggable binding sites we show that a few ligands bind tens of protein domains or folds whereas most ligands bind only one which indicates that ligand-protein mapping follows a power law. Through assigning the protein-binding orders early or late for bio-ligands we demonstrate that the preferential attachment principle still holds for the power-law relation between ligands and proteins. We also found that polar molecular surface area H-bond acceptor counts H-bond donor counts and partition coefficient are potential factors to discriminate ligands from ordinary molecules .