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Items: 1 to 20 of 131

1.

Exploration of Target Synergy in Cancer Treatment by Cell-Based Screening Assay and Network Propagation Analysis.

Naveja JJ, Stumpfe D, Medina-Franco JL, Bajorath J.

J Chem Inf Model. 2019 May 1. doi: 10.1021/acs.jcim.9b00036. [Epub ahead of print]

PMID:
31013082
2.

New Approaches for the Discovery of Pharmacologically-Active Natural Compounds.

Medina-Franco JL.

Biomolecules. 2019 Mar 23;9(3). pii: E115. doi: 10.3390/biom9030115.

3.

The Acid/Base Profile of a Large Food Chemical Database.

Santibáñez-Morán MG, Rico-Hidalgo MP, Manallack DT, Medina-Franco JL.

Mol Inform. 2019 Mar 12. doi: 10.1002/minf.201800171. [Epub ahead of print]

PMID:
30861311
4.

DataWarrior: an evaluation of the open-source drug discovery tool.

López-López E, Naveja JJ, Medina-Franco JL.

Expert Opin Drug Discov. 2019 Apr;14(4):335-341. doi: 10.1080/17460441.2019.1581170. Epub 2019 Feb 26.

PMID:
30806519
5.

Synthesis of NSC 106084 and NSC 14778 and evaluation of their DNMT inhibitory activity.

Leroy M, Mélin L, LaPlante SR, Medina-Franco JL, Gagnon A.

Bioorg Med Chem Lett. 2019 Mar 15;29(6):826-831. doi: 10.1016/j.bmcl.2019.01.022. Epub 2019 Jan 22.

PMID:
30704813
6.

BIOFACQUIM: A Mexican Compound Database of Natural Products.

Pilón-Jiménez BA, Saldívar-González FI, Díaz-Eufracio BI, Medina-Franco JL.

Biomolecules. 2019 Jan 17;9(1). pii: E31. doi: 10.3390/biom9010031.

7.

Bicyclic acetals: biological relevance, scaffold analysis, and applications in diversity-oriented synthesis.

Lenci E, Menchi G, Saldívar-Gonzalez FI, Medina-Franco JL, Trabocchi A.

Org Biomol Chem. 2019 Jan 31;17(5):1037-1052. doi: 10.1039/c8ob02808g. Review.

PMID:
30620036
8.

Activity Landscape and Molecular Modeling to Explore the SAR of Dual Epigenetic Inhibitors: A Focus on G9a and DNMT1.

López-López E, Prieto-Martínez FD, Medina-Franco JL.

Molecules. 2018 Dec 11;23(12). pii: E3282. doi: 10.3390/molecules23123282.

9.

Chemical Space and Diversity of the NuBBE Database: A Chemoinformatic Characterization.

Saldívar-González FI, Valli M, Andricopulo AD, da Silva Bolzani V, Medina-Franco JL.

J Chem Inf Model. 2019 Jan 28;59(1):74-85. doi: 10.1021/acs.jcim.8b00619. Epub 2018 Dec 17.

PMID:
30508485
10.

Statistical-based database fingerprint: chemical space dependent representation of compound databases.

Sánchez-Cruz N, Medina-Franco JL.

J Cheminform. 2018 Nov 22;10(1):55. doi: 10.1186/s13321-018-0311-x.

11.

Inhibitors of DNA Methyltransferases From Natural Sources: A Computational Perspective.

Saldívar-González FI, Gómez-García A, Chávez-Ponce de León DE, Sánchez-Cruz N, Ruiz-Rios J, Pilón-Jiménez BA, Medina-Franco JL.

Front Pharmacol. 2018 Oct 10;9:1144. doi: 10.3389/fphar.2018.01144. eCollection 2018. Review.

12.

Computational Methods for Epigenetic Drug Discovery: A Focus on Activity Landscape Modeling.

Naveja JJ, Oviedo-Osornio CI, Medina-Franco JL.

Adv Protein Chem Struct Biol. 2018;113:65-83. doi: 10.1016/bs.apcsb.2018.01.001. Epub 2018 Mar 5.

PMID:
30149906
13.

Computational Methods to Discover Compounds for the Treatment of Chagas Disease.

Cortés-Ruiz EM, Palomino-Hernández O, Rodríguez-Hernández KD, Espinoza B, Medina-Franco JL.

Adv Protein Chem Struct Biol. 2018;113:119-142. doi: 10.1016/bs.apcsb.2018.03.005. Epub 2018 Mar 16.

PMID:
30149904
14.

Analysis of a large food chemical database: chemical space, diversity, and complexity.

Naveja JJ, Rico-Hidalgo MP, Medina-Franco JL.

Version 2. F1000Res. 2018 Jul 3 [revised 2018 Jan 1];7. pii: Chem Inf Sci-993. doi: 10.12688/f1000research.15440.2. eCollection 2018.

15.

Flavonoids as Putative Epi-Modulators: Insight into Their Binding Mode with BRD4 Bromodomains Using Molecular Docking and Dynamics.

Prieto-Martínez FD, Medina-Franco JL.

Biomolecules. 2018 Jul 23;8(3). pii: E61. doi: 10.3390/biom8030061.

16.

Systematic search for benzimidazole compounds and derivatives with antileishmanial effects.

Sánchez-Salgado JC, Bilbao-Ramos P, Dea-Ayuela MA, Hernández-Luis F, Bolás-Fernández F, Medina-Franco JL, Rojas-Aguirre Y.

Mol Divers. 2018 Nov;22(4):779-790. doi: 10.1007/s11030-018-9830-7. Epub 2018 May 10.

PMID:
29748853
17.

Exploring the chemical space of peptides for drug discovery: a focus on linear and cyclic penta-peptides.

Díaz-Eufracio BI, Palomino-Hernández O, Houghten RA, Medina-Franco JL.

Mol Divers. 2018 May;22(2):259-267. doi: 10.1007/s11030-018-9812-9. Epub 2018 Feb 14.

PMID:
29446006
18.

Protein-Protein Interaction Modulators for Epigenetic Therapies.

Díaz-Eufracio BI, Naveja JJ, Medina-Franco JL.

Adv Protein Chem Struct Biol. 2018;110:65-84. doi: 10.1016/bs.apcsb.2017.06.002. Epub 2017 Jul 25.

PMID:
29413000
19.

Chemoinformatics: a perspective from an academic setting in Latin America.

Naveja JJ, Oviedo-Osornio CI, Trujillo-Minero NN, Medina-Franco JL.

Mol Divers. 2018 Feb;22(1):247-258. doi: 10.1007/s11030-017-9802-3. Epub 2017 Dec 4.

PMID:
29204824
20.

Insights from pharmacological similarity of epigenetic targets in epipolypharmacology.

Naveja JJ, Medina-Franco JL.

Drug Discov Today. 2018 Jan;23(1):141-150. doi: 10.1016/j.drudis.2017.10.006. Epub 2017 Oct 14. Review.

PMID:
29038074

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