A comprehensive map of molecular drug targets

被引:1577
作者
Santos, Rita [1 ,2 ]
Ursu, Oleg [3 ]
Gaulton, Anna [1 ]
Bento, A. Patricia [1 ]
Donadi, Ramesh S. [1 ]
Bologa, Cristian G. [3 ]
Karlsson, Anneli [1 ,4 ]
Al-Lazikani, Bissan [5 ]
Hersey, Anne [1 ]
Oprea, Tudor I. [3 ]
Overington, John P. [1 ,4 ]
机构
[1] EMBL EBI, Wellcome Genome Campus, Cambridge CB10 1SD, England
[2] GlaxoSmithKline, Med Res Ctr, Computat Biol & Target Sci, Stevenage SG1 2NY, Herts, England
[3] Univ New Mexico, Sch Med, Translat Informat Div, MSC09 5025,700 Camino Salud NE, Albuquerque, NM 87131 USA
[4] BenevolentAI, 40 Churchway, London NW1 1LW, England
[5] Inst Canc Res, Canc Res UK Canc Therapeut Unit, London SM2 5NG, England
基金
美国国家卫生研究院; 英国惠康基金;
关键词
CANCER; DISCOVERY; PIMAVANSERIN; DRONEDARONE; RECEPTORS; LANDSCAPE; ONCOGENE; OPINION; BINDING; GENOME;
D O I
10.1038/nrd.2016.230
中图分类号
Q81 [生物工程学(生物技术)]; Q93 [微生物学];
学科分类号
071005 ; 0836 ; 090102 ; 100705 ;
摘要
The success of mechanism-based drug discovery depends on the definition of the drug target. This definition becomes even more important as we try to link drug response to genetic variation, understand stratified clinical efficacy and safety, rationalize the differences between drugs in the same therapeutic class and predict drug utility in patient subgroups. However, drug targets are often poorly defined in the literature, both for launched drugs and for potential therapeutic agents in discovery and development. Here, we present an updated comprehensive map of molecular targets of approved drugs. We curate a total of 893 human and pathogen-derived biomolecules through which 1,578 US FDA-approved drugs act. These biomolecules include 667 human-genome-derived proteins targeted by drugs for human disease. Analysis of these drug targets indicates the continued dominance of privileged target families across disease areas, but also the growth of novel first-in-class mechanisms, particularly in oncology. We explore the relationships between bioactivity class and clinical success, as well as the presence of orthologues between human and animal models and between pathogen and human genomes. Through the collaboration of three independent teams, we highlight some of the ongoing challenges in accurately defining the targets of molecular therapeutics and present conventions for deconvoluting the complexities of molecular pharmacology and drug efficacy.
引用
收藏
页码:19 / 34
页数:16
相关论文
共 61 条
[11]   The discovery of first-in-class drugs: origins and evolution [J].
Eder, Joerg ;
Sedrani, Richard ;
Wiesmann, Christian .
NATURE REVIEWS DRUG DISCOVERY, 2014, 13 (08) :577-587
[12]   ABC transporters in cancer: more than just drug efflux pumps [J].
Fletcher, Jamie I. ;
Haber, Michelle ;
Henderson, Michelle J. ;
Norris, Murray D. .
NATURE REVIEWS CANCER, 2010, 10 (02) :147-156
[13]   Ensembl 2012 [J].
Flicek, Paul ;
Amode, M. Ridwan ;
Barrell, Daniel ;
Beal, Kathryn ;
Brent, Simon ;
Carvalho-Silva, Denise ;
Clapham, Peter ;
Coates, Guy ;
Fairley, Susan ;
Fitzgerald, Stephen ;
Gil, Laurent ;
Gordon, Leo ;
Hendrix, Maurice ;
Hourlier, Thibaut ;
Johnson, Nathan ;
Kaehaeri, Andreas K. ;
Keefe, Damian ;
Keenan, Stephen ;
Kinsella, Rhoda ;
Komorowska, Monika ;
Koscielny, Gautier ;
Kulesha, Eugene ;
Larsson, Pontus ;
Longden, Ian ;
McLaren, William ;
Muffato, Matthieu ;
Overduin, Bert ;
Pignatelli, Miguel ;
Pritchard, Bethan ;
Riat, Harpreet Singh ;
Ritchie, Graham R. S. ;
Ruffier, Magali ;
Schuster, Michael ;
Sobral, Daniel ;
Tang, Y. Amy ;
Taylor, Kieron ;
Trevanion, Stephen ;
Vandrovcova, Jana ;
White, Simon ;
Wilson, Mark ;
Wilder, Steven P. ;
Aken, Bronwen L. ;
Birney, Ewan ;
Cunningham, Fiona ;
Dunham, Ian ;
Durbin, Richard ;
Fernandez-Suarez, Xose M. ;
Harrow, Jennifer ;
Herrero, Javier ;
Hubbard, Tim J. P. .
NUCLEIC ACIDS RESEARCH, 2012, 40 (D1) :D84-D90
[14]   Pimavanserin for the treatment of Parkinson's disease psychosis [J].
Friedman, Joseph H. .
EXPERT OPINION ON PHARMACOTHERAPY, 2013, 14 (14) :1969-1975
[15]   Probing the links between in vitro potency, ADMET and physicochemical parameters [J].
Gleeson, M. Paul ;
Hersey, Anne ;
Montanari, Dino ;
Overington, John .
NATURE REVIEWS DRUG DISCOVERY, 2011, 10 (03) :197-208
[16]  
Golden JB, 2003, CURR OPIN DRUG DISC, V6, P310
[17]   Structural basis of drugs that increase cardiac inward rectifier Kir2.1 currents [J].
Gomez, Ricardo ;
Caballero, Ricardo ;
Barana, Adriana ;
Amoros, Irene ;
De Palm, Sue-Haida ;
Matamoros, Marcos ;
Nunez, Mercedes ;
Perez-Hernandez, Marta ;
Iriepa, Isabel ;
Tamargo, Juan ;
Delpon, Eva .
CARDIOVASCULAR RESEARCH, 2014, 104 (02) :337-346
[18]   SuperTarget and Matador:: resources for exploring drug-target relationships [J].
Guenther, Stefan ;
Kuhn, Michael ;
Dunkel, Mathias ;
Campillos, Monica ;
Senger, Christian ;
Petsalaki, Evangelia ;
Ahmed, Jessica ;
Urdiales, Eduardo Garcia ;
Gewiess, Andreas ;
Jensen, Lars Juhl ;
Schneider, Reinhard ;
Skoblo, Roman ;
Russell, Robert B. ;
Bourne, Philip E. ;
Bork, Peer ;
Preissner, Robert .
NUCLEIC ACIDS RESEARCH, 2008, 36 :D919-D922
[19]   Pleiotropic Effects of Antiarrhythmic Agents: Dronedarone in the Treatment of Atrial Fibrillation [J].
Heijman, Jordi ;
Heusch, Gerd ;
Dobrev, Dobromir .
CLINICAL MEDICINE INSIGHTS-CARDIOLOGY, 2013, 7 :127-140
[20]   The druggable genome [J].
Hopkins, AL ;
Groom, CR .
NATURE REVIEWS DRUG DISCOVERY, 2002, 1 (09) :727-730