Fernández-de Gortari E - Search Results

1

Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds.

Bajorath J, Chávez-Hernández AL, Duran-Frigola M, Fernández-de Gortari E, Gasteiger J, López-López E, Maggiora GM, Medina-Franco JL, Méndez-Lucio O, Mestres J, Miranda-Quintana RA, Oprea TI, Plisson F, Prieto-Martínez FD, Rodríguez-Pérez R, Rondón-Villarreal P, Saldívar-Gonzalez FI, Sánchez-Cruz N, Valli M. Bajorath J, et al. Among authors: fernandez de gortari e. J Cheminform. 2022 Dec 2;14(1):82. doi: 10.1186/s13321-022-00661-0. J Cheminform. 2022. PMID: 36461094 Free PMC article.

2

Structural basis for relief of phospholamban-mediated inhibition of the sarcoplasmic reticulum Ca²⁺-ATPase at saturating Ca²⁺ conditions.

Fernández-de Gortari E, Espinoza-Fonseca LM. Fernández-de Gortari E, et al. J Biol Chem. 2018 Aug 10;293(32):12405-12414. doi: 10.1074/jbc.RA118.003752. Epub 2018 Jun 22. J Biol Chem. 2018. PMID: 29934304 Free PMC article.

3

A hallmark of phospholamban functional divergence is located in the N-terminal phosphorylation domain.

Fernández-de Gortari E, Aguayo-Ortiz R, Autry JM, Michel Espinoza-Fonseca L. Fernández-de Gortari E, et al. Comput Struct Biotechnol J. 2020 Feb 28;18:705-713. doi: 10.1016/j.csbj.2020.02.016. eCollection 2020. Comput Struct Biotechnol J. 2020. PMID: 32257054 Free PMC article.

4

Developmental DNA methyltransferase inhibitors in the treatment of gynecologic cancers.

Duenas-Gonzalez A, Medina-Franco JL, Chavez-Blanco A, Dominguez-Gomez G, Fernández-de Gortari E. Duenas-Gonzalez A, et al. Expert Opin Pharmacother. 2016;17(3):323-38. doi: 10.1517/14656566.2016.1118053. Epub 2015 Dec 17. Expert Opin Pharmacother. 2016. PMID: 26559668 Review.

5

Molecular Modeling and Chemoinformatics to Advance the Development of Modulators of Epigenetic Targets: A Focus on DNA Methyltransferases.

Prieto-Martínez FD, Peña-Castillo A, Méndez-Lucio O, Fernández-de Gortari E, Medina-Franco JL. Prieto-Martínez FD, et al. Adv Protein Chem Struct Biol. 2016;105:1-26. doi: 10.1016/bs.apcsb.2016.05.001. Epub 2016 Jun 14. Adv Protein Chem Struct Biol. 2016. PMID: 27567482 Review.

6

Database fingerprint (DFP): an approach to represent molecular databases.

Fernández-de Gortari E, García-Jacas CR, Martinez-Mayorga K, Medina-Franco JL. Fernández-de Gortari E, et al. J Cheminform. 2017 Feb 6;9:9. doi: 10.1186/s13321-017-0195-1. eCollection 2017. J Cheminform. 2017. PMID: 28224019 Free PMC article.

7

Rationality over fashion and hype in drug design.

Medina-Franco JL, Martinez-Mayorga K, Fernández-de Gortari E, Kirchmair J, Bajorath J. Medina-Franco JL, et al. Among authors: fernandez de gortari e. F1000Res. 2021 May 18;10:Chem Inf Sci-397. doi: 10.12688/f1000research.52676.1. eCollection 2021. F1000Res. 2021. PMID: 34164109 Free PMC article.

8

An in silico pipeline for the discovery of multitarget ligands: A case study for epi-polypharmacology based on DNMT1/HDAC2 inhibition.

Prieto-Martínez FD, Fernández-de Gortari E, Medina-Franco JL, Espinoza-Fonseca LM. Prieto-Martínez FD, et al. Among authors: fernandez de gortari e. Artif Intell Life Sci. 2021 Dec;1:100008. doi: 10.1016/j.ailsci.2021.100008. Epub 2021 Sep 12. Artif Intell Life Sci. 2021. PMID: 35475037 Free PMC article.

9

Yes SIR! On the structure-inactivity relationships in drug discovery.

López-López E, Fernández-de Gortari E, Medina-Franco JL. López-López E, et al. Among authors: fernandez de gortari e. Drug Discov Today. 2022 Aug;27(8):2353-2362. doi: 10.1016/j.drudis.2022.05.005. Epub 2022 May 11. Drug Discov Today. 2022. PMID: 35561964 Review.

10

Editorial: Computational chemogenomics: In silico tools in pharmacological research and drug discovery.

Sánchez-Cruz N, Fernandez-de Gortari E, Medina-Franco JL. Sánchez-Cruz N, et al. Among authors: fernandez de gortari e. Front Pharmacol. 2023 Mar 17;14:1150869. doi: 10.3389/fphar.2023.1150869. eCollection 2023. Front Pharmacol. 2023. PMID: 37007046 Free PMC article. No abstract available.

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