Format
Sort by
Items per page

Send to

Choose Destination

Search results

Items: 19

1.

Epigenetic re-wiring of breast cancer by pharmacological targeting of C-terminal binding protein.

Byun JS, Park S, Yi DI, Shin JH, Hernandez SG, Hewitt SM, Nicklaus MC, Peach ML, Guasch L, Tang B, Wakefield LM, Yan T, Caban A, Jones A, Kabbout M, Vohra N, Nápoles AM, Singhal S, Yancey R, De Siervi A, Gardner K.

Cell Death Dis. 2019 Sep 18;10(10):689. doi: 10.1038/s41419-019-1892-7.

2.

Plant Genebanks: Present Situation and Proposals for Their Improvement. the Case of the Spanish Network.

Díez MJ, De la Rosa L, Martín I, Guasch L, Cartea ME, Mallor C, Casals J, Simó J, Rivera A, Anastasio G, Prohens J, Soler S, Blanca J, Valcárcel JV, Casañas F.

Front Plant Sci. 2018 Dec 4;9:1794. doi: 10.3389/fpls.2018.01794. eCollection 2018.

3.

Experimental and Chemoinformatics Study of Tautomerism in a Database of Commercially Available Screening Samples.

Guasch L, Yapamudiyansel W, Peach ML, Kelley JA, Barchi JJ Jr, Nicklaus MC.

J Chem Inf Model. 2016 Nov 28;56(11):2149-2161. Epub 2016 Oct 16.

4.

Characterizing the Covalent Targets of a Small Molecule Inhibitor of the Lysine Acetyltransferase P300.

Shrimp JH, Sorum AW, Garlick JM, Guasch L, Nicklaus MC, Meier JL.

ACS Med Chem Lett. 2015 Oct 31;7(2):151-5. doi: 10.1021/acsmedchemlett.5b00385. eCollection 2016 Feb 11.

5.

Tautomerism of Warfarin: Combined Chemoinformatics, Quantum Chemical, and NMR Investigation.

Guasch L, Peach ML, Nicklaus MC.

J Org Chem. 2015 Oct 16;80(20):9900-9. doi: 10.1021/acs.joc.5b01370. Epub 2015 Sep 25.

PMID:
26372257
6.

Novel HIV-1 Integrase Inhibitor Development by Virtual Screening Based on QSAR Models.

Guasch L, Zakharov AV, Tarasova OA, Poroikov VV, Liao C, Nicklaus MC.

Curr Top Med Chem. 2016;16(4):441-8. Review.

PMID:
26268340
7.

Metabolic Regulation of Histone Acetyltransferases by Endogenous Acyl-CoA Cofactors.

Montgomery DC, Sorum AW, Guasch L, Nicklaus MC, Meier JL.

Chem Biol. 2015 Aug 20;22(8):1030-1039. doi: 10.1016/j.chembiol.2015.06.015. Epub 2015 Jul 16.

8.

Peroxisome Proliferator-Activated Receptor γ (PPARγ) and Ligand Choreography: Newcomers Take the Stage.

Garcia-Vallvé S, Guasch L, Tomas-Hernández S, del Bas JM, Ollendorff V, Arola L, Pujadas G, Mulero M.

J Med Chem. 2015 Jul 23;58(14):5381-94. doi: 10.1021/jm501155f. Epub 2015 Apr 9. Review.

PMID:
25734377
9.

Enumeration of ring-chain tautomers based on SMIRKS rules.

Guasch L, Sitzmann M, Nicklaus MC.

J Chem Inf Model. 2014 Sep 22;54(9):2423-32. doi: 10.1021/ci500363p. Epub 2014 Sep 9.

10.

Identification of PPARgamma partial agonists of natural origin (II): in silico prediction in natural extracts with known antidiabetic activity.

Guasch L, Sala E, Mulero M, Valls C, Salvadó MJ, Pujadas G, Garcia-Vallvé S.

PLoS One. 2013;8(2):e55889. doi: 10.1371/journal.pone.0055889. Epub 2013 Feb 6.

11.

Identification of PPARgamma partial agonists of natural origin (I): development of a virtual screening procedure and in vitro validation.

Guasch L, Sala E, Castell-Auví A, Cedó L, Liedl KR, Wolber G, Muehlbacher M, Mulero M, Pinent M, Ardévol A, Valls C, Pujadas G, Garcia-Vallvé S.

PLoS One. 2012;7(11):e50816. doi: 10.1371/journal.pone.0050816. Epub 2012 Nov 30.

12.

Identification of novel human dipeptidyl peptidase-IV inhibitors of natural origin (Part II): in silico prediction in antidiabetic extracts.

Guasch L, Sala E, Ojeda MJ, Valls C, Bladé C, Mulero M, Blay M, Ardévol A, Garcia-Vallvé S, Pujadas G.

PLoS One. 2012;7(9):e44972. doi: 10.1371/journal.pone.0044972. Epub 2012 Sep 21.

13.

Identification of novel human dipeptidyl peptidase-IV inhibitors of natural origin (part I): virtual screening and activity assays.

Guasch L, Ojeda MJ, González-Abuín N, Sala E, Cereto-Massagué A, Mulero M, Valls C, Pinent M, Ardévol A, Garcia-Vallvé S, Pujadas G.

PLoS One. 2012;7(9):e44971. doi: 10.1371/journal.pone.0044971. Epub 2012 Sep 12.

14.

DecoyFinder: an easy-to-use python GUI application for building target-specific decoy sets.

Cereto-Massagué A, Guasch L, Valls C, Mulero M, Pujadas G, Garcia-Vallvé S.

Bioinformatics. 2012 Jun 15;28(12):1661-2. doi: 10.1093/bioinformatics/bts249. Epub 2012 Apr 26.

PMID:
22539671
15.

Development of docking-based 3D-QSAR models for PPARgamma full agonists.

Guasch L, Sala E, Valls C, Mulero M, Pujadas G, Garcia-Vallvé S.

J Mol Graph Model. 2012 Jun;36:1-9. doi: 10.1016/j.jmgm.2012.03.001. Epub 2012 Mar 14.

PMID:
22503857
16.

Theoretical studies of asymmetric hydroformylation using the Rh-(R,S)-BINAPHOS catalyst--origin of coordination preferences and stereoinduction.

Aguado-Ullate S, Saureu S, Guasch L, Carbó JJ.

Chemistry. 2012 Jan 16;18(3):995-1005. doi: 10.1002/chem.201101230. Epub 2011 Dec 20.

PMID:
22190342
17.

Identification of human IKK-2 inhibitors of natural origin (Part II): in Silico prediction of IKK-2 inhibitors in natural extracts with known anti-inflammatory activity.

Sala E, Guasch L, Iwaszkiewicz J, Mulero M, Salvadó MJ, Bladé C, Ceballos M, Valls C, Zoete V, Grosdidier A, Garcia-Vallvé S, Michielin O, Pujadas G.

Eur J Med Chem. 2011 Dec;46(12):6098-103. doi: 10.1016/j.ejmech.2011.09.022. Epub 2011 Sep 22.

PMID:
22000921
18.

Structural insights for the design of new PPARgamma partial agonists with high binding affinity and low transactivation activity.

Guasch L, Sala E, Valls C, Blay M, Mulero M, Arola L, Pujadas G, Garcia-Vallvé S.

J Comput Aided Mol Des. 2011 Aug;25(8):717-28. doi: 10.1007/s10822-011-9446-9. Epub 2011 Jun 21.

PMID:
21691811
19.

Identification of human IKK-2 inhibitors of natural origin (part I): modeling of the IKK-2 kinase domain, virtual screening and activity assays.

Sala E, Guasch L, Iwaszkiewicz J, Mulero M, Salvadó MJ, Pinent M, Zoete V, Grosdidier A, Garcia-Vallvé S, Michielin O, Pujadas G.

PLoS One. 2011 Feb 24;6(2):e16903. doi: 10.1371/journal.pone.0016903.

Supplemental Content

Loading ...
Support Center