Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA
Abstract: Our findings reported herein provide support for the benefits of including functional group complexity (FGC) within fragments when screening against protein targets such as Mycobacterium tuberculosis InhA. We show that InhA fragment actives with FGC maintained their binding pose during elaboration. Furthermore, weak fragment hits with functional group handles also allowed for facile fragment elaboration to afford novel and potent InhA inhibitors with good ligand efficiency metrics for optimization.
- Location
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Deutsche Nationalbibliothek Frankfurt am Main
- Extent
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Online-Ressource
- Language
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Englisch
- Bibliographic citation
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Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA ; volume:13 ; number:7 ; year:2018 ; pages:672-677 ; extent:6
ChemMedChem ; 13, Heft 7 (2018), 672-677 (gesamt 6)
- Creator
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Prati, Federica
Zuccotto, Fabio
Fletcher, Daniel
Convery, Maire A.
Fernandez‐Menendez, Raquel
Bates, Robert
Encinas, Lourdes
Zeng, Jingkun
Chung, Chun‐wa
De Dios Anton, Paco
Mendoza‐Losana, Alfonso
Mackenzie, Claire
Green, Simon R.
Huggett, Margaret
Barros, David
Wyatt, Paul G.
Ray, Peter C.
- DOI
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10.1002/cmdc.201700774
- URN
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urn:nbn:de:101:1-2022082205531235759715
- Rights
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Open Access; Der Zugriff auf das Objekt ist unbeschränkt möglich.
- Last update
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15.08.2025, 7:36 AM CEST
Data provider
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Associated
- Prati, Federica
- Zuccotto, Fabio
- Fletcher, Daniel
- Convery, Maire A.
- Fernandez‐Menendez, Raquel
- Bates, Robert
- Encinas, Lourdes
- Zeng, Jingkun
- Chung, Chun‐wa
- De Dios Anton, Paco
- Mendoza‐Losana, Alfonso
- Mackenzie, Claire
- Green, Simon R.
- Huggett, Margaret
- Barros, David
- Wyatt, Paul G.
- Ray, Peter C.
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