Búsqueda | Biblioteca Virtual en Salud

1.

A dispensable paralog of succinate dehydrogenase subunit C mediates standing resistance towards a subclass of SDHI fungicides in Zymoseptoria tritici.

Steinhauer, Diana; Salat, Marie; Frey, Regula; Mosbach, Andreas; Luksch, Torsten; Balmer, Dirk; Hansen, Rasmus; Widdison, Stephanie; Logan, Grace; Dietrich, Robert A; Kema, Gert H J; Bieri, Stephane; Sierotzki, Helge; Torriani, Stefano F F; Scalliet, Gabriel.

PLoS Pathog ; 15(12): e1007780, 2019 12.

Artículo en Inglés | MEDLINE | ID: mdl-31860693

2.

A novel multiple-stage antimalarial agent that inhibits protein synthesis.

Baragaña, Beatriz; Hallyburton, Irene; Lee, Marcus C S; Norcross, Neil R; Grimaldi, Raffaella; Otto, Thomas D; Proto, William R; Blagborough, Andrew M; Meister, Stephan; Wirjanata, Grennady; Ruecker, Andrea; Upton, Leanna M; Abraham, Tara S; Almeida, Mariana J; Pradhan, Anupam; Porzelle, Achim; Luksch, Torsten; Martínez, María Santos; Luksch, Torsten; Bolscher, Judith M; Woodland, Andrew; Norval, Suzanne; Zuccotto, Fabio; Thomas, John; Simeons, Frederick; Stojanovski, Laste; Osuna-Cabello, Maria; Brock, Paddy M; Churcher, Tom S; Sala, Katarzyna A; Zakutansky, Sara E; Jiménez-Díaz, María Belén; Sanz, Laura Maria; Riley, Jennifer; Basak, Rajshekhar; Campbell, Michael; Avery, Vicky M; Sauerwein, Robert W; Dechering, Koen J; Noviyanti, Rintis; Campo, Brice; Frearson, Julie A; Angulo-Barturen, Iñigo; Ferrer-Bazaga, Santiago; Gamo, Francisco Javier; Wyatt, Paul G; Leroy, Didier; Siegl, Peter; Delves, Michael J; Kyle, Dennis E.

Nature ; 522(7556): 315-20, 2015 06 18.

Artículo en Inglés | MEDLINE | ID: mdl-26085270

3.

Editorial.

Luksch, Torsten; Laino, Teodoro.

Chimia (Aarau) ; 77(1-2): 6, 2023 Feb 22.

Artículo en Inglés | MEDLINE | ID: mdl-38047847

4.

Screening a protein kinase inhibitor library against Plasmodium falciparum.

Hallyburton, Irene; Grimaldi, Raffaella; Woodland, Andrew; Baragaña, Beatriz; Luksch, Torsten; Spinks, Daniel; James, Daniel; Leroy, Didier; Waterson, David; Fairlamb, Alan H; Wyatt, Paul G; Gilbert, Ian H; Frearson, Julie A.

Malar J ; 16(1): 446, 2017 11 07.

Artículo en Inglés | MEDLINE | ID: mdl-29115999

5.

Corrigendum: A novel multiple-stage antimalarial agent that inhibits protein synthesis.

Baragaña, Beatriz; Hallyburton, Irene; Lee, Marcus C S; Norcross, Neil R; Grimaldi, Raffaella; Otto, Thomas D; Proto, William R; Blagborough, Andrew M; Meister, Stephan; Wirjanata, Grennady; Ruecker, Andrea; Upton, Leanna M; Abraham, Tara S; Almeida, Mariana J; Pradhan, Anupam; Porzelle, Achim; Martínez, María Santos; Bolscher, Judith M; Woodland, Andrew; Luksch, Torsten; Norval, Suzanne; Zuccotto, Fabio; Thomas, John; Simeons, Frederick; Stojanovski, Laste; Osuna-Cabello, Maria; Brock, Paddy M; Churcher, Tom S; Sala, Katarzyna A; Zakutansky, Sara E; Jiménez-Díaz, María Belén; Sanz, Laura Maria; Riley, Jennifer; Basak, Rajshekhar; Campbell, Michael; Avery, Vicky M; Sauerwein, Robert W; Dechering, Koen J; Noviyanti, Rintis; Campo, Brice; Frearson, Julie A; Angulo-Barturen, Iñigo; Ferrer-Bazaga, Santiago; Gamo, Francisco Javier; Wyatt, Paul G; Leroy, Didier; Siegl, Peter; Delves, Michael J; Kyle, Dennis E; Wittlin, Sergio.

Nature ; 537(7618): 122, 2016 09 01.

Artículo en Inglés | MEDLINE | ID: mdl-27281209

6.

Artificial intelligence in chemistry and drug design.

Brown, Nathan; Ertl, Peter; Lewis, Richard; Luksch, Torsten; Reker, Daniel; Schneider, Nadine.

J Comput Aided Mol Des ; 34(7): 709-715, 2020 07.

Artículo en Inglés | MEDLINE | ID: mdl-32468207

7.

Editorial.

Luksch, Torsten; Lüthi, Hans Peter.

Chimia (Aarau) ; 73(12): 969, 2019 Dec 18.

Artículo en Inglés | MEDLINE | ID: mdl-31883546

8.

Fast Customization of Chemical Language Models to Out-of-Distribution Data Sets.

Toniato, Alessandra; Vaucher, Alain C; Lehmann, Marzena Maria; Luksch, Torsten; Schwaller, Philippe; Stenta, Marco; Laino, Teodoro.

Chem Mater ; 35(21): 8806-8815, 2023 Nov 14.

Artículo en Inglés | MEDLINE | ID: mdl-38027545

9.

Achiral oligoamines as versatile tool for the development of aspartic protease inhibitors.

Blum, Andreas; Böttcher, Jark; Sammet, Benedikt; Luksch, Torsten; Heine, Andreas; Klebe, Gerhard; Diederich, Wibke E.

Bioorg Med Chem ; 16(18): 8574-86, 2008 Sep 15.

Artículo en Inglés | MEDLINE | ID: mdl-18760609

10.

Development of Small-Molecule Trypanosoma brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode.

Spinks, Daniel; Smith, Victoria; Thompson, Stephen; Robinson, David A; Luksch, Torsten; Smith, Alasdair; Torrie, Leah S; McElroy, Stuart; Stojanovski, Laste; Norval, Suzanne; Collie, Iain T; Hallyburton, Irene; Rao, Bhavya; Brand, Stephen; Brenk, Ruth; Frearson, Julie A; Read, Kevin D; Wyatt, Paul G; Gilbert, Ian H.

ChemMedChem ; 10(11): 1821-36, 2015 Nov.

Artículo en Inglés | MEDLINE | ID: mdl-26395087

11.

The design and synthesis of potent and selective inhibitors of Trypanosoma brucei glycogen synthase kinase 3 for the treatment of human african trypanosomiasis.

Urich, Robert; Grimaldi, Raffaella; Luksch, Torsten; Frearson, Julie A; Brenk, Ruth; Wyatt, Paul G.

J Med Chem ; 57(18): 7536-49, 2014 Sep 25.

Artículo en Inglés | MEDLINE | ID: mdl-25198388

12.

Current challenges and trends in the discovery of agrochemicals.

Lamberth, Clemens; Jeanmart, Stephane; Luksch, Torsten; Plant, Andrew.

Science ; 341(6147): 742-6, 2013 Aug 16.

Artículo en Inglés | MEDLINE | ID: mdl-23950530

13.

From on-target to off-target activity: identification and optimisation of Trypanosoma brucei GSK3 inhibitors and their characterisation as anti-Trypanosoma brucei drug discovery lead molecules.

Woodland, Andrew; Grimaldi, Raffaella; Luksch, Torsten; Cleghorn, Laura A T; Ojo, Kayode K; Van Voorhis, Wesley C; Brenk, Ruth; Frearson, Julie A; Gilbert, Ian H; Wyatt, Paul G.

ChemMedChem ; 8(7): 1127-37, 2013 Jul.

Artículo en Inglés | MEDLINE | ID: mdl-23776181

14.

Mutagenesis and functional studies with succinate dehydrogenase inhibitors in the wheat pathogen Mycosphaerella graminicola.

Scalliet, Gabriel; Bowler, Judith; Luksch, Torsten; Kirchhofer-Allan, Lucy; Steinhauer, Diana; Ward, Keith; Niklaus, Michael; Verras, Andreas; Csukai, Michael; Daina, Antoine; Fonné-Pfister, Raymonde.

PLoS One ; 7(4): e35429, 2012.

Artículo en Inglés | MEDLINE | ID: mdl-22536383

15.

Identification of inhibitors of the Leishmania cdc2-related protein kinase CRK3.

Cleghorn, Laura A T; Woodland, Andrew; Collie, Iain T; Torrie, Leah S; Norcross, Neil; Luksch, Torsten; Mpamhanga, Chido; Walker, Roderick G; Mottram, Jeremy C; Brenk, Ruth; Frearson, Julie A; Gilbert, Ian H; Wyatt, Paul G.

ChemMedChem ; 6(12): 2214-24, 2011 Dec 09.

Artículo en Inglés | MEDLINE | ID: mdl-21913331

16.

Nucleophilic catalysis of acylhydrazone equilibration for protein-directed dynamic covalent chemistry.

Bhat, Venugopal T; Caniard, Anne M; Luksch, Torsten; Brenk, Ruth; Campopiano, Dominic J; Greaney, Michael F.

Nat Chem ; 2(6): 490-7, 2010 Jun.

Artículo en Inglés | MEDLINE | ID: mdl-20489719

17.

Pyrrolidine derivatives as plasmepsin inhibitors: binding mode analysis assisted by molecular dynamics simulations of a highly flexible protein.

Luksch, Torsten; Blum, Andreas; Klee, Nina; Diederich, Wibke E; Sotriffer, Christoph A; Klebe, Gerhard.

ChemMedChem ; 5(3): 443-54, 2010 Mar 01.

Artículo en Inglés | MEDLINE | ID: mdl-20112327

18.

Computer-aided design and synthesis of nonpeptidic plasmepsin II and IV inhibitors.

Luksch, Torsten; Chan, Nan-Si; Brass, Sascha; Sotriffer, Christoph A; Klebe, Gerhard; Diederich, Wibke E.

ChemMedChem ; 3(9): 1323-36, 2008 Sep.

Artículo en Inglés | MEDLINE | ID: mdl-18752222

19.

The potential of P1 site alterations in peptidomimetic protease inhibitors as suggested by virtual screening and explored by the use of C-C-coupling reagents.

Weik, Steffen; Luksch, Torsten; Evers, Andreas; Böttcher, Jark; Sotriffer, Christoph A; Hasilik, Andrej; Löffler, Hans-Gerhard; Klebe, Gerhard; Rademann, Jörg.

ChemMedChem ; 1(4): 445-57, 2006 Apr.

Artículo en Inglés | MEDLINE | ID: mdl-16892380

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A dispensable paralog of succinate dehydrogenase subunit C mediates standing resistance towards a subclass of SDHI fungicides in Zymoseptoria tritici.

A novel multiple-stage antimalarial agent that inhibits protein synthesis.

Editorial.

Screening a protein kinase inhibitor library against Plasmodium falciparum.

Corrigendum: A novel multiple-stage antimalarial agent that inhibits protein synthesis.

Artificial intelligence in chemistry and drug design.

Editorial.

Fast Customization of Chemical Language Models to Out-of-Distribution Data Sets.

Achiral oligoamines as versatile tool for the development of aspartic protease inhibitors.

Development of Small-Molecule Trypanosoma brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode.

The design and synthesis of potent and selective inhibitors of Trypanosoma brucei glycogen synthase kinase 3 for the treatment of human african trypanosomiasis.

Current challenges and trends in the discovery of agrochemicals.

From on-target to off-target activity: identification and optimisation of Trypanosoma brucei GSK3 inhibitors and their characterisation as anti-Trypanosoma brucei drug discovery lead molecules.

Mutagenesis and functional studies with succinate dehydrogenase inhibitors in the wheat pathogen Mycosphaerella graminicola.

Identification of inhibitors of the Leishmania cdc2-related protein kinase CRK3.

Nucleophilic catalysis of acylhydrazone equilibration for protein-directed dynamic covalent chemistry.

Pyrrolidine derivatives as plasmepsin inhibitors: binding mode analysis assisted by molecular dynamics simulations of a highly flexible protein.

Computer-aided design and synthesis of nonpeptidic plasmepsin II and IV inhibitors.

The potential of P1 site alterations in peptidomimetic protease inhibitors as suggested by virtual screening and explored by the use of C-C-coupling reagents.