Virtual screening, selection and development of a benzindolone structural scaffold for inhibition of lumazine synthase

Bioorganic and Medicinal Chemistry

Volumn 18, Issue 10, 2010, Pages 3518-3534

  Talukdar, Arindam ^a   Morgunova, Ekaterina ^b   Duan, Jianxin ^d   Meining, Winfried ^e   Foloppe, Nicolas ^b   Nilsson, Lennart ^b   Bacher, Adelbert ^c   Illarionov, Boris ^c   Fischer, Markus ^c   Ladenstein, Rudolf ^b   Cushman, Mark ^a  

^a PURDUE UNIVERSITY   (United States)

^b KAROLINSKA INSTITUTE   (Sweden)

^c UNIVERSITY OF HAMBURG   (Germany)

^d Anterio Consult and Research GmbH   (Germany)

^e TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

Inhibitor; Lumazine synthase; Mycobacterium tuberculosis; Virtual screening

Indexed keywords

1,1 DIFLUORO 4 (2 OXO 1,2 DIHYDROBENZO[CD]INDOLE 6 SULFONAMIDO)HEXYLPHOSPHONIC ACID; 1,1 DIFLUORO 4 (2 OXO 1,2 DIHYDROBENZO[CD]INDOLE 6 SULFONAMIDO)PENTYLPHOSPHONIC ACID; 2 (2 OXO 1,2 DIHYDROBENZO[CD]INDOLE 6 SULFONAMIDO)ACETIC ACID; 2 (2 OXO 1,2 DIHYDROBENZO[CD]INDOLE 6 SULFONAMIDO)ETHYL DIHYDROGEN PHOSPHATE; 3 (2 OXO 1,2 DIHYDROBENZO[CD]INDOLE 6 SULFONAMIDO)PROPYL DIHYDROGEN PHOSPHATE; 4 (2 OXO 1,2 DIHYDROBENZO[CD]INDOLE 6 SULFONAMIDO)BUTYL DIHYDROGEN PHOSPHATE; 4 (2 OXO 1,2 DIHYDROBENZO[CD]INDOLE 6 SULFONAMIDO)BUTYLPHOSPHONIC ACID; 5 (2 OXO 1,2 DIHYDROBENZO[CD]INDOLE 6 SULFONAMIDO)HEXYL DIHYDROGEN PHOSPHATE; 5 (2 OXO 1,2 DIHYDROBENZO[CD]INDOLE 6 SULFONAMIDO)PENTYL DIHYDROGEN PHOSPHATE; DI TERT BUTYL 2 (2 OXO 1,2 DIHYDROBENZO[CD]INDOLE 6 SULFONAMIDO)ETHYL PHOSPHATE; DI TERT BUTYL 3 (2 OXO 1,2 DIHYDROBENZO[CD]INDOLE 6 SULFONAMIDO)PROPYL PHOSPHATE; DI TERT BUTYL 4 (2 OXO 1,2 DIHYDROBENZO[CD]INDOLE 6 SULFONAMIDO)BUTYL PHOSPHATE; DI TERT BUTYL 5 (2 OXO 1,2 DIHYDROBENZO[CD]INDOLE 5 SULFONAMIDO)PENTYL PHOSPHATE; DIETHYL 1,1 DIFLUORO 4 (2 OXO 1,2 DIHYDROBENZO[CD]INDOLE 6 SULFONAMIDO)BUTYL PHOSPHONATE; DIETHYL 4 (2 OXO 1,2 DIHYDROBENZO[CD]INDOLE 6 SULFONAMIDO)BUTYL PHOSPHONATE; DIETHYL 4 (2 OXO 1,2 DIHYDROBENZO[CD]INDOLE 6 SULFONAMIDO)PENTYLPHOSPHONATE; ETHYL 2 (2,4 BIS(BENZYLOXY) 6 CHLOROPYRIMIDIN 5 YLAMINO) 2 OXOACETATE; ETHYL 2 (6 CHLORO 2,4 DIOXO 1,2,3,4 TETRAHYDROPYRIMIDIN 5 YLAMINO) 2 OXOETHANOATE; HYDROXYL GROUP; INDOLE DERIVATIVE; LUMAZINE SYNTHASE; N (2 HYDROXYHEXYL) 2 OXO 1,2 DIHYDROBENZO[CD]INDOLE 6 SULFONAMIDE; N (5 HYDROXYPENTYL) 2 OXO 1,2 DIHYDROBENZO[CD]INDOLE 6 SULFONAMIDE; N (6 CHLORO 2,4 DIOXO 1,2,3,4 TETRAHYDROPYRIMIDIN 5 YL)PROPIONAMIDE; N (6 HYDROXYHEXYL) 2 OXO 1,2 DIHYDROBENZO[CD]INDOLE 6 SULFONAMIDE; PHOSPHATE; RIBOFLAVIN SYNTHASE; TRANSFERASE; TRANSFERASE INHIBITOR; UNCLASSIFIED DRUG; UNINDEXED DRUG;

ARTICLE; CONTROLLED STUDY; CRYSTAL STRUCTURE; DRUG SCREENING; ENZYME INHIBITION; HYDROGEN BOND; MOLECULAR MODEL; MYCOBACTERIUM TUBERCULOSIS; THERMODYNAMICS;

ANTITUBERCULAR AGENTS; BINDING SITES; DRUG EVALUATION, PRECLINICAL; ENZYME INHIBITORS; INDOLES; MOLECULAR STRUCTURE; MULTIENZYME COMPLEXES; MYCOBACTERIUM TUBERCULOSIS;

MYCOBACTERIUM TUBERCULOSIS;

EID: 77953138779     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2010.03.072     Document Type: Article

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