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. 2014 Feb 6;5:3. doi: 10.3389/fphar.2014.00003

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Copyright © 2014 Xie, Wang, Liu, Ouyang, Fang and Su.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) or licensor are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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Illustration of our cloud-based HTDocking server to predict potential targets (pink nodes) and cross-targets (yellow, green and blue nodes) of compounds and to explore possible mechanisms. (A) The predicted targets of six known abused/approved drugs (opioids: codeine and DB01532; benzodiazepines: bromazepam and alprazolam; barbiturates: secobarbital and pentobarbital). (B) The predicted targets of 3 approved drugs for DA treatments (methadone, naltrexone, and buprenorphine). MAPK10, Mitogen-Activated Protein Kinase 10; CYP2A6, cytochrome P450, family 2, subfamily A, polypeptide 6; RAB6A, RAB6A, member RAS oncogene family; PBRM1, polybromo 1; PDE5A, phosphodiesterase 5A, cGMP-specific; A4, amyloid beta protein; RB1, retinoblastoma 1; MAPK14, mitogen-activated protein kinase 14; ALDR, Aldose reductase; PPARg, Peroxisome proliferator-activated receptor gamma; GABRA(1-6):Gamma-aminobutyric acid receptor subunit alpha-(1-6); MAOB, Monoamine Oxidase B; MAP2K1(5), Mitogen-Activated Protein Kinase 1(5); LCK, Tyrosine-protein kinase Lck; ESR1, Estrogen receptor; CTDS2, Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 2; GRB14, Growth factor receptor-bound protein 14; GLR2, AMPA-selective glutamate receptor 2; ALDOA, Fructose-bisphosphate aldolase A; CA2, Carbonic anhydrase II; OPRD (OPRM,OPRK), Delta (Mu, Kappa)-type opioid receptor; AA2AR, Adenosine receptor A2a; MDR1, Multidrug resistance protein 1; GARS, Glycine-tRNA ligase.