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A Novel Agonist of the Type 1 Lysophosphatidic Acid Receptor (LPA1), UCM-05194, Shows Efficacy in Neuropathic Pain Amelioration.
J Med Chem. 2020 Mar 12;63(5):2372-2390. doi: 10.1021/acs.jmedchem.9b01287. Epub 2019 Dec 16.
J Med Chem. 2020.
PMID: 31790581
Free PMC article.
Novel Antagonist of the Type 2 Lysophosphatidic Acid Receptor (LPA2), UCM-14216, Ameliorates Spinal Cord Injury in Mice.
Khiar-Fernández N, Zian D, Vázquez-Villa H, Martínez RF, Escobar-Peña A, Foronda-Sainz R, Ray M, Puigdomenech-Poch M, Cincilla G, Sánchez-Martínez M, Kihara Y, Chun J, López-Vales R, López-Rodríguez ML, Ortega-Gutiérrez S.
Khiar-Fernández N, et al. Among authors: cincilla g.
J Med Chem. 2022 Aug 25;65(16):10956-10974. doi: 10.1021/acs.jmedchem.2c00046. Epub 2022 Aug 10.
J Med Chem. 2022.
PMID: 35948083
Free PMC article.
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2-(Fluoromethoxy)-4'-(S-methanesulfonimidoyl)-1,1'-biphenyl (UCM-1306), an Orally Bioavailable Positive Allosteric Modulator of the Human Dopamine D1 Receptor for Parkinson's Disease.
García-Cárceles J, Vázquez-Villa H, Brea J, Ladron de Guevara-Miranda D, Cincilla G, Sánchez-Martínez M, Sánchez-Merino A, Algar S, Teresa de Los Frailes M, Roberts RS, Ballesteros JA, Rodríguez de Fonseca F, Benhamú B, Loza MI, López-Rodríguez ML.
García-Cárceles J, et al. Among authors: cincilla g.
J Med Chem. 2022 Sep 22;65(18):12256-12272. doi: 10.1021/acs.jmedchem.2c00949. Epub 2022 Aug 31.
J Med Chem. 2022.
PMID: 36044544
Free PMC article.
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An Open Drug Discovery Competition: Experimental Validation of Predictive Models in a Series of Novel Antimalarials.
Tse EG, Aithani L, Anderson M, Cardoso-Silva J, Cincilla G, Conduit GJ, Galushka M, Guan D, Hallyburton I, Irwin BWJ, Kirk K, Lehane AM, Lindblom JCR, Lui R, Matthews S, McCulloch J, Motion A, Ng HL, Öeren M, Robertson MN, Spadavecchio V, Tatsis VA, van Hoorn WP, Wade AD, Whitehead TM, Willis P, Todd MH.
Tse EG, et al. Among authors: cincilla g.
J Med Chem. 2021 Nov 25;64(22):16450-16463. doi: 10.1021/acs.jmedchem.1c00313. Epub 2021 Nov 8.
J Med Chem. 2021.
PMID: 34748707
Free article.
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Individual and collective human intelligence in drug design: evaluating the search strategy.
Cincilla G, Masoni S, Blobel J.
Cincilla G, et al.
J Cheminform. 2021 Oct 11;13(1):80. doi: 10.1186/s13321-021-00556-6.
J Cheminform. 2021.
PMID: 34635158
Free PMC article.
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Structuring Chemical Space: Similarity-Based Characterization of the PubChem Database.
Cincilla G, Thormann M, Pons M.
Cincilla G, et al.
Mol Inform. 2010 Jan 12;29(1-2):37-49. doi: 10.1002/minf.200900015.
Mol Inform. 2010.
PMID: 27463847
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An improved scoring function for suboptimal polar ligand complexes.
Cincilla G, Vidal D, Pons M.
Cincilla G, et al.
J Comput Aided Mol Des. 2009 Mar;23(3):143-52. doi: 10.1007/s10822-008-9246-z. Epub 2008 Oct 9.
J Comput Aided Mol Des. 2009.
PMID: 18843450
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