Literature DB >> 24103802

The scaffold hopping potential of pharmacophores.

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Abstract

Year:  2010        PMID： 24103802     DOI： 10.1016/j.ddtec.2010.09.001

Source DB:  PubMed          Journal:  Drug Discov Today Technol        ISSN： 1740-6749


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  8 in total

1.  Natural-product-derived fragments for fragment-based ligand discovery.

Authors:  Björn Over; Stefan Wetzel; Christian Grütter; Yasushi Nakai; Steffen Renner; Daniel Rauh; Herbert Waldmann
Journal:  Nat Chem       Date:  2012-12-02       Impact factor: 24.427

Review 2.  Classification of scaffold-hopping approaches.

Authors:  Hongmao Sun; Gregory Tawa; Anders Wallqvist
Journal:  Drug Discov Today       Date:  2011-10-26       Impact factor: 7.851

3.  Free energy perturbation (FEP)-guided scaffold hopping.

Authors:  Deyan Wu; Xuehua Zheng; Runduo Liu; Zhe Li; Zan Jiang; Qian Zhou; Yue Huang; Xu-Nian Wu; Chen Zhang; Yi-You Huang; Hai-Bin Luo
Journal:  Acta Pharm Sin B       Date:  2021-09-30       Impact factor: 14.903

4.  Pharmacophore modeling and virtual screening for novel acidic inhibitors of microsomal prostaglandin E₂ synthase-1 (mPGES-1).

Authors:  Birgit Waltenberger; Katja Wiechmann; Julia Bauer; Patrick Markt; Stefan M Noha; Gerhard Wolber; Judith M Rollinger; Oliver Werz; Daniela Schuster; Hermann Stuppner
Journal:  J Med Chem       Date:  2011-04-20       Impact factor: 7.446

Review 5.  In Silico Strategies in Tuberculosis Drug Discovery.

Authors:  Stephani Joy Y Macalino; Junie B Billones; Voltaire G Organo; Maria Constancia O Carrillo
Journal:  Molecules       Date:  2020-02-04       Impact factor: 4.411

Review 6.  Virtual Combinatorial Chemistry and Pharmacological Screening: A Short Guide to Drug Design.

Authors:  Beatriz Suay-García; Jose I Bueso-Bordils; Antonio Falcó; Gerardo M Antón-Fos; Pedro A Alemán-López
Journal:  Int J Mol Sci       Date:  2022-01-30       Impact factor: 5.923

7.  Novel covalent and non-covalent complex-based pharmacophore models of SARS-CoV-2 main protease (Mpro) elucidated by microsecond MD simulations.

Authors:  Yasser Hayek-Orduz; Andrés Felipe Vásquez; María Francisca Villegas-Torres; Paola A Caicedo; Luke E K Achenie; Andrés Fernando González Barrios
Journal:  Sci Rep       Date:  2022-08-18       Impact factor: 4.996

Review 8.  Pharmacophore Models and Pharmacophore-Based Virtual Screening: Concepts and Applications Exemplified on Hydroxysteroid Dehydrogenases.

Authors:  Teresa Kaserer; Katharina R Beck; Muhammad Akram; Alex Odermatt; Daniela Schuster
Journal:  Molecules       Date:  2015-12-19       Impact factor: 4.411
  8 in total

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