Literature DB >> 22890978

Application of fragment screening and merging to the discovery of inhibitors of the Mycobacterium tuberculosis cytochrome P450 CYP121.

Sean A Hudson1, Kirsty J McLean, Sachin Surade, Yong-Qing Yang, David Leys, Alessio Ciulli, Andrew W Munro, Chris Abell.   

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Year:  2012        PMID： 22890978     DOI： 10.1002/anie.201202544

Source DB:  PubMed          Journal:  Angew Chem Int Ed Engl        ISSN： 1433-7851            Impact factor:   15.336


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  26 in total

1.  A three-stage biophysical screening cascade for fragment-based drug discovery.

Authors:  Ellene H Mashalidis; Paweł Śledź; Steffen Lang; Chris Abell
Journal:  Nat Protoc       Date:  2013-10-24       Impact factor: 13.491

2.  Cross-linking of dicyclotyrosine by the cytochrome P450 enzyme CYP121 from Mycobacterium tuberculosis proceeds through a catalytic shunt pathway.

Authors:  Kednerlin Dornevil; Ian Davis; Andrew J Fielding; James R Terrell; Li Ma; Aimin Liu
Journal:  J Biol Chem       Date:  2017-06-30       Impact factor: 5.157

3.  Fragment-based discovery of 6-azaindazoles as inhibitors of bacterial DNA ligase.

Authors:  Steven Howard; Nader Amin; Andrew B Benowitz; Elisabetta Chiarparin; Haifeng Cui; Xiaodong Deng; Tom D Heightman; David J Holmes; Anna Hopkins; Jianzhong Huang; Qi Jin; Constantine Kreatsoulas; Agnes C L Martin; Frances Massey; Lynn McCloskey; Paul N Mortenson; Puja Pathuri; Dominic Tisi; Pamela A Williams
Journal:  ACS Med Chem Lett       Date:  2013-10-18       Impact factor: 4.345

4.  Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121: insights from biochemical studies and crystal structures.

Authors:  Matthieu Fonvielle; Marie-Hélène Le Du; Olivier Lequin; Alain Lecoq; Mickaël Jacquet; Robert Thai; Steven Dubois; Guillaume Grach; Muriel Gondry; Pascal Belin
Journal:  J Biol Chem       Date:  2013-04-25       Impact factor: 5.157

Review 5.  Potential drug targets in the Mycobacterium tuberculosis cytochrome P450 system.

Authors:  Paul R Ortiz de Montellano
Journal:  J Inorg Biochem       Date:  2018-01-12       Impact factor: 4.155

6.  Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach.

Authors:  Ali Ryan; Elena Polycarpou; Nathan A Lack; Dimitrios Evangelopoulos; Christian Sieg; Alice Halman; Sanjib Bhakta; Olga Eleftheriadou; Timothy D McHugh; Sebastian Keany; Edward D Lowe; Romain Ballet; Areej Abuhammad; William R Jacobs; Alessio Ciulli; Edith Sim
Journal:  Br J Pharmacol       Date:  2017-05-09       Impact factor: 8.739

7.  Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.

Authors:  Madeline E Kavanagh; Anthony G Coyne; Kirsty J McLean; Guy G James; Colin W Levy; Leonardo B Marino; Luiz Pedro S de Carvalho; Daniel S H Chan; Sean A Hudson; Sachin Surade; David Leys; Andrew W Munro; Chris Abell
Journal:  J Med Chem       Date:  2016-03-22       Impact factor: 7.446

Review 8.  Schistosomiasis Drug Discovery in the Era of Automation and Artificial Intelligence.

Authors:  José T Moreira-Filho; Arthur C Silva; Rafael F Dantas; Barbara F Gomes; Lauro R Souza Neto; Jose Brandao-Neto; Raymond J Owens; Nicholas Furnham; Bruno J Neves; Floriano P Silva-Junior; Carolina H Andrade
Journal:  Front Immunol       Date:  2021-05-31       Impact factor: 7.561

9.  Structural insights into the mechanism for recognizing substrate of the cytochrome P450 enzyme TxtE.

Authors:  Feng Yu; Minjun Li; Chunyan Xu; Zhijun Wang; Huan Zhou; Min Yang; Yaxing Chen; Lin Tang; Jianhua He
Journal:  PLoS One       Date:  2013-11-25       Impact factor: 3.240

10.  Overcoming the limitations of fragment merging: rescuing a strained merged fragment series targeting Mycobacterium tuberculosis CYP121.

Authors:  Sean A Hudson; Sachin Surade; Anthony G Coyne; Kirsty J McLean; David Leys; Andrew W Munro; Chris Abell
Journal:  ChemMedChem       Date:  2013-06-20       Impact factor: 3.466
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