Comparative mapping of on-targets and off-targets for the discovery of anti-trypanosomatid folate pathway inhibitors

Biochimica et Biophysica Acta - General Subjects

Volumn 1861, Issue 12, 2017, Pages 3215-3230

  Panecka Hofman, Joanna ^a,b   Pöhner, Ina ^a   Spyrakis, Francesca ^c,d   Zeppelin, Talia ^a,i   Di Pisa, Flavio ^e   Dello Iacono, Lucia ^e   Bonucci, Alessio ^e   Quotadamo, Antonio ^f   Venturelli, Alberto ^f   Mangani, Stefano ^e   Costi, Maria Paola ^d   Wade, Rebecca C ^a,g,h  

^a HEIDELBERG INSTITUTE FOR THEORETICAL STUDIES   (Germany)

^b UNIVERSITY OF WARSAW   (Poland)

^c UNIVERSITY OF TURIN   (Italy)

^d UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

^e UNIVERSITY OF SIENA   (Italy)

^f Tydock Pharma   (Italy)

^g GERMAN CANCER RESEARCH CENTER   (Germany)

^h UNIVERSITY OF HEIDELBERG   (Germany)

ⁱ AARHUS UNIVERSITY   (Denmark)

Author keywords

Anti parasitic drug; Enzyme inhibitor; Folate pathway; Selective inhibition; Structure based drug design; Trypanosomatids

Indexed keywords

ANTIPARASITIC AGENT; BIOPTERIN; DIHYDROFOLATE REDUCTASE; FOLATE RECEPTOR 2; FOLIC ACID ANTAGONIST; METHOTREXATE; OXIDOREDUCTASE; PROTEIN VARIANT; PTERIDINE REDUCTASE 1; TETRAHYDROFOLIC ACID; THYMIDYLATE SYNTHASE; UNCLASSIFIED DRUG; ANTITRYPANOSOMAL AGENT; MULTIENZYME COMPLEX; PTERIDINE REDUCTASE; THYMIDYLATE SYNTHASE-DIHYDROFOLATE REDUCTASE;

ARTICLE; COMPARATIVE STUDY; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; DRUG DESIGN; ENZYME INHIBITION; NONHUMAN; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN TARGETING; SEQUENCE ANALYSIS; STRUCTURE ANALYSIS; TRYPANOSOMA CRUZI; ANTAGONISTS AND INHIBITORS; BINDING SITE; CHEMISTRY; DRUG DEVELOPMENT; DRUG EFFECTS; ENZYMOLOGY; HUMAN;

BINDING SITES; CRYSTALLOGRAPHY; DRUG DISCOVERY; FOLIC ACID ANTAGONISTS; HUMANS; MULTIENZYME COMPLEXES; OXIDOREDUCTASES; TETRAHYDROFOLATE DEHYDROGENASE; THYMIDYLATE SYNTHASE; TRYPANOCIDAL AGENTS; TRYPANOSOMA CRUZI;

EID: 85030670901     PISSN: 03044165     EISSN: 18728006     Source Type: Journal    
DOI: 10.1016/j.bbagen.2017.09.012     Document Type: Article

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