title: ACTP: A webserver for predicting potential targets and relevant pathways of autophagy-modulating compounds.
abstract: Autophagy (macroautophagy) is well known as an evolutionarily conserved lysosomal degradation process for long-lived proteins and damaged organelles. Recently, accumulating evidence has revealed a series of small-molecule compounds that may activate or inhibit autophagy for therapeutic potential on human diseases. However, targeting autophagy for drug discovery still remains in its infancy. In this study, we developed a webserver called Autophagic Compound-Target Prediction (ACTP) (http://actp.liu-lab.com/) that could predict autophagic targets and relevant pathways for a given compound. The flexible docking of submitted small-molecule compound (s) to potential autophagic targets could be performed by backend reverse docking. The webpage would return structure-based scores and relevant pathways for each predicted target. Thus, these results provide a basis for the rapid prediction of potential targets/pathways of possible autophagy-activating or autophagy-inhibiting compounds without labor-intensive experiments. Moreover, ACTP will be helpful to shed light on identifying more novel autophagy-activating or autophagy-inhibiting compounds for future therapeutic implications.
authors.affiliation: State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University, and Collaborative Innovation Center of Biotherapy, Chengdu 610041, China.
authors.forename: Tao
authors.initials: T
authors.lastname: Xie
authors.affiliation: State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University, and Collaborative Innovation Center of Biotherapy, Chengdu 610041, China.
authors.forename: Lan
authors.initials: L
authors.lastname: Zhang
authors.affiliation: State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University, and Collaborative Innovation Center of Biotherapy, Chengdu 610041, China.
authors.forename: Shouyue
authors.initials: S
authors.lastname: Zhang
authors.affiliation: State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University, and Collaborative Innovation Center of Biotherapy, Chengdu 610041, China.
authors.forename: Liang
authors.initials: L
authors.lastname: Ouyang
authors.affiliation: Center of Growth, Metabolism, and Aging, Key Laboratory of Bio-Resources and Eco-Environment, College of Life Sciences, Sichuan University, Chengdu 610064, China.
authors.forename: Haoyang
authors.initials: H
authors.lastname: Cai
authors.affiliation: State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University, and Collaborative Innovation Center of Biotherapy, Chengdu 610041, China.
authors.forename: Bo
authors.initials: B
authors.lastname: Liu
mesh_terms: D000903:Antibiotics, Antineoplastic / Q000737:chemistry / Q000378:metabolism / Q000494:pharmacology; D001343:Autophagy / Q000187:drug effects*; D001665:Binding Sites; D019295:Computational Biology / Q000379:methods*; D055808:Drug Discovery / Q000379:methods; D006801:Humans; D020407:Internet; D062105:Molecular Docking Simulation; D015394:Molecular Structure; D058990:Molecular Targeted Therapy / Q000379:methods; D011485:Protein Binding; D000072417:Protein Domains; D011506:Proteins / Q000037:antagonists & inhibitors* / Q000737:chemistry / Q000378:metabolism; D015203:Reproducibility of Results; D015398:Signal Transduction / Q000187:drug effects*; D020123:Sirolimus / Q000737:chemistry / Q000378:metabolism / Q000494:pharmacology; D054852:Small Molecule Libraries / Q000737:chemistry / Q000378:metabolism / Q000494:pharmacology*; D058570:TOR Serine-Threonine Kinases / Q000037:antagonists & inhibitors / Q000737:chemistry / Q000378:metabolism; D014584:User-Computer Interface
chemical_list: D000903:Antibiotics, Antineoplastic; D011506:Proteins; D054852:Small Molecule Libraries; D058570:TOR Serine-Threonine Kinases; D020123:Sirolimus
keywords: autophagic compound-target prediction (ACTP); autophagy (macroautophagy); autophagy-activating compound; autophagy-inhibiting compound; webserver
references.citation: Cell Prolif. 2012 Dec;45(6):487-98
references.pmid: 23030059
references.citation: Oncotarget. 2015 Dec 1;6(38):40480-95
references.pmid: 26415234
references.citation: Science. 2010 Dec 3;330(6009):1344-8
references.pmid: 21127245
references.citation: Nat Protoc. 2009;4(1):44-57
references.pmid: 19131956
references.citation: Cell. 2008 Jan 11;132(1):27-42
references.pmid: 18191218
references.citation: Autophagy. 2009 Feb;5(2):140-51
references.pmid: 19098459
references.citation: Dev Cell. 2004 Apr;6(4):463-77
references.pmid: 15068787
references.citation: Nature. 2008 Feb 28;451(7182):1069-75
references.pmid: 18305538
references.citation: J Comput Chem. 2009 Jul 30;30(10):1545-614
references.pmid: 19444816
references.citation: F1000Res. 2014 Jul 01;3:143
references.pmid: 25520778
references.citation: Nucleic Acids Res. 2009 Jan;37(1):1-13
references.pmid: 19033363
references.citation: Nature. 2012 Oct 25;490(7421):556-60
references.pmid: 23023127
references.citation: Cell Cycle. 2007 Aug 1;6(15):1837-49
references.pmid: 17671424
references.citation: Pharmacol Rev. 2013 Aug 13;65(4):1162-97
references.pmid: 23943849
references.citation: Nat Rev Mol Cell Biol. 2007 Nov;8(11):931-7
references.pmid: 17712358
references.citation: Science. 2000 Dec 1;290(5497):1717-21
references.pmid: 11099404
references.citation: Methods Enzymol. 2009;452:143-64
references.pmid: 19200881
references.citation: Mol Cell Biol. 2013 Apr;33(7):1357-67
references.pmid: 23358420
references.citation: Mol Biosyst. 2008 Sep;4(9):895-901
references.pmid: 18704227
references.citation: Free Radic Biol Med. 2013 Dec;65:402-410
references.pmid: 23872397
references.citation: Int J Biochem Cell Biol. 2011 Sep;43(9):1263-6
references.pmid: 21640844
references.citation: J Pharmacol Pharmacother. 2012 Oct;3(4):351-2
references.pmid: 23326114
references.citation: Cell Prolif. 2015 Feb;48(1):7-16
references.pmid: 25474301
references.citation: Cancer Lett. 2011 Jan 28;300(2):105-14
references.pmid: 21036469
references.citation: Nat Commun. 2013;4:3017
references.pmid: 24352254
references.citation: Nat Cell Biol. 2010 Sep;12(9):814-22
references.pmid: 20811353
references.citation: Proteins. 2001 May 1;43(2):113-24
references.pmid: 11276081
references.citation: Nucleic Acids Res. 2006 Jan 1;34(Database issue):D322-6
references.pmid: 16381878
references.citation: Nat Rev Drug Discov. 2007 Apr;6(4):304-12
references.pmid: 17396135
references.citation: Cell Death Dis. 2013 Oct 31;4:e892
references.pmid: 24176850
references.citation: Pharmacol Rev. 2013 Dec 31;66(1):334-95
references.pmid: 24381236