Literature DB >> 29204824

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

J Jesús Naveja1,2, C Iluhí Oviedo-Osornio1, Nicole N Trujillo-Minero1, José L Medina-Franco3.   

Abstract

This perspective discusses the current progress of a chemoinformatics group in a major university in Latin America. Three major aspects are discussed in a critical manner: research, education, and collaboration with industry and other public research networks. It is also presented an overview of the progress in applied research and development of research concepts. Efforts to teach chemoinformatics at the undergraduate and graduate levels are discussed. It is addressed how the partnership with industry and other not-for-profit research institutions not only brings additional sources of funding but, more importantly, increases the impact of the multidisciplinary work and offers the students to be exposed to other research environments. We also discuss the main perspectives and challenges that remain to be addressed in these settings.

Keywords:  Activity landscape; ChemMaps; Chemoinformatics; Collaboration; Computer-aided drug design; D-Tools; Epi-informatics; Structure–activity relationships

Mesh:

Year:  2017        PMID: 29204824     DOI: 10.1007/s11030-017-9802-3

Source DB:  PubMed          Journal:  Mol Divers        ISSN: 1381-1991            Impact factor:   2.943


  45 in total

1.  Synthesis and biochemical evaluation of δ(2)-isoxazoline derivatives as DNA methyltransferase 1 inhibitors.

Authors:  Sabrina Castellano; Dirk Kuck; Monica Viviano; Jakyung Yoo; Fabian López-Vallejo; Paola Conti; Lucia Tamborini; Andrea Pinto; José L Medina-Franco; Gianluca Sbardella
Journal:  J Med Chem       Date:  2011-10-07       Impact factor: 7.446

Review 2.  Balancing novelty with confined chemical space in modern drug discovery.

Authors:  José L Medina-Franco; Karina Martinez-Mayorga; Nathalie Meurice
Journal:  Expert Opin Drug Discov       Date:  2013-12-19       Impact factor: 6.098

Review 3.  Progress in visual representations of chemical space.

Authors:  Dmitry I Osolodkin; Eugene V Radchenko; Alexey A Orlov; Andrey E Voronkov; Vladimir A Palyulin; Nikolay S Zefirov
Journal:  Expert Opin Drug Discov       Date:  2015-06-22       Impact factor: 6.098

Review 4.  Insights from pharmacological similarity of epigenetic targets in epipolypharmacology.

Authors:  J Jesús Naveja; José L Medina-Franco
Journal:  Drug Discov Today       Date:  2017-10-14       Impact factor: 7.851

Review 5.  Applications of combinatorial technologies to drug discovery. 1. Background and peptide combinatorial libraries.

Authors:  M A Gallop; R W Barrett; W J Dower; S P Fodor; E M Gordon
Journal:  J Med Chem       Date:  1994-04-29       Impact factor: 7.446

6.  Toward drug repurposing in epigenetics: olsalazine as a hypomethylating compound active in a cellular context.

Authors:  Oscar Méndez-Lucio; Jeremy Tran; José L Medina-Franco; Nathalie Meurice; Mark Muller
Journal:  ChemMedChem       Date:  2014-01-31       Impact factor: 3.466

7.  Discovery of a novel protein kinase B inhibitor by structure-based virtual screening.

Authors:  Jose L Medina-Franco; Marc A Giulianotti; Yongping Yu; Liangliang Shen; Libo Yao; Narender Singh
Journal:  Bioorg Med Chem Lett       Date:  2009-06-25       Impact factor: 2.823

Review 8.  Activity landscape of DNA methyltransferase inhibitors bridges chemoinformatics with epigenetic drug discovery.

Authors:  J Jesús Naveja; José L Medina-Franco
Journal:  Expert Opin Drug Discov       Date:  2015-08-01       Impact factor: 6.098

9.  DrugBank 4.0: shedding new light on drug metabolism.

Authors:  Vivian Law; Craig Knox; Yannick Djoumbou; Tim Jewison; An Chi Guo; Yifeng Liu; Adam Maciejewski; David Arndt; Michael Wilson; Vanessa Neveu; Alexandra Tang; Geraldine Gabriel; Carol Ly; Sakina Adamjee; Zerihun T Dame; Beomsoo Han; You Zhou; David S Wishart
Journal:  Nucleic Acids Res       Date:  2013-11-06       Impact factor: 16.971

10.  The ChEMBL database in 2017.

Authors:  Anna Gaulton; Anne Hersey; Michał Nowotka; A Patrícia Bento; Jon Chambers; David Mendez; Prudence Mutowo; Francis Atkinson; Louisa J Bellis; Elena Cibrián-Uhalte; Mark Davies; Nathan Dedman; Anneli Karlsson; María Paula Magariños; John P Overington; George Papadatos; Ines Smit; Andrew R Leach
Journal:  Nucleic Acids Res       Date:  2016-11-28       Impact factor: 16.971

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  4 in total

1.  BIOFACQUIM: A Mexican Compound Database of Natural Products.

Authors:  B Angélica Pilón-Jiménez; Fernanda I Saldívar-González; Bárbara I Díaz-Eufracio; José L Medina-Franco
Journal:  Biomolecules       Date:  2019-01-17

2.  A general approach for retrosynthetic molecular core analysis.

Authors:  J Jesús Naveja; B Angélica Pilón-Jiménez; Jürgen Bajorath; José L Medina-Franco
Journal:  J Cheminform       Date:  2019-09-24       Impact factor: 5.514

3.  Progress on open chemoinformatic tools for expanding and exploring the chemical space.

Authors:  José L Medina-Franco; Norberto Sánchez-Cruz; Edgar López-López; Bárbara I Díaz-Eufracio
Journal:  J Comput Aided Mol Des       Date:  2021-06-18       Impact factor: 4.179

4.  Finding Constellations in Chemical Space Through Core Analysis.

Authors:  J Jesús Naveja; José L Medina-Franco
Journal:  Front Chem       Date:  2019-07-16       Impact factor: 5.221

  4 in total

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