Literature DB >> 19200624

Design of novel aminopyrrolidine factor Xa inhibitors from a screening hit.

Katrin Groebke Zbinden1, Lilli Anselm, David W Banner, Jörg Benz, Francesca Blasco, Guillaume Décoret, Jacques Himber, Bernd Kuhn, Narendra Panday, Fabienne Ricklin, Philippe Risch, Daniel Schlatter, Martin Stahl, Stefan Thomi, Robert Unger, Wolfgang Haap.   

Abstract

Starting from a hit identified by focused screening, 3-aminopyrrolidine factor Xa inhibitors were designed. The binding mode as determined by X-ray structural analysis as well as the pharmacokinetic behaviour of selected compounds is discussed.

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Year:  2009        PMID： 19200624     DOI： 10.1016/j.ejmech.2008.12.025

Source DB:  PubMed          Journal:  Eur J Med Chem        ISSN： 0223-5234            Impact factor:   6.514


  9 in total

1.  Residue preference mapping of ligand fragments in the Protein Data Bank.

Authors:  Lirong Wang; Zhaojun Xie; Peter Wipf; Xiang-Qun Xie
Journal:  J Chem Inf Model       Date:  2011-03-18       Impact factor: 4.956

Review 2.  A medicinal chemist's guide to molecular interactions.

Authors:  Caterina Bissantz; Bernd Kuhn; Martin Stahl
Journal:  J Med Chem       Date:  2010-07-22       Impact factor: 7.446

3.  Efficient assembly of iminodicarboxamides by a "truly" four-component reaction.

Authors:  Kareem Khoury; Mantosh K Sinha; Tadamichi Nagashima; Eberhardt Herdtweck; Alexander Dömling
Journal:  Angew Chem Int Ed Engl       Date:  2012-09-11       Impact factor: 15.336

4.  Identification of DOT1L inhibitors by structure-based virtual screening adapted from a nucleoside-focused library.

Authors:  Garrett S Gibbons; Amarraj Chakraborty; Sierrah M Grigsby; Afoma C Umeano; Chenzhong Liao; Omar Moukha-Chafiq; Vibha Pathak; Bini Mathew; Young-Tae Lee; Yali Dou; Stephan C Schürer; Robert C Reynolds; Timothy S Snowden; Zaneta Nikolovska-Coleska
Journal:  Eur J Med Chem       Date:  2020-01-02       Impact factor: 6.514

5.  4-(3-Fluoro-4-nitro-phen-yl)morpholin-3-one.

Authors:  Chang-Jiang Huang; Jiang Wu; Zhi-Qiang Cai; Jing Yuan
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2011-05-28

6.  Rationalizing tight ligand binding through cooperative interaction networks.

Authors:  Bernd Kuhn; Julian E Fuchs; Michael Reutlinger; Martin Stahl; Neil R Taylor
Journal:  J Chem Inf Model       Date:  2011-12-09       Impact factor: 4.956

7.  Novel FXa Inhibitor Identification through Integration of Ligand- and Structure-Based Approaches.

Authors:  Carlos F Lagos; Gerardine F Segovia; Nicolás Nuñez-Navarro; Mario A Faúndez; Flavia C Zacconi
Journal:  Molecules       Date:  2017-09-22       Impact factor: 4.411

8.  Molecular Docking, Computational, and Antithrombotic Studies of Novel 1,3,4-Oxadiazole Derivatives.

Authors:  Majda Batool; Affifa Tajammal; Firdous Farhat; Francis Verpoort; Zafar A K Khattak; Muhammad Shahid; Hafiz Adnan Ahmad; Munawar Ali Munawar; Muhammad Zia-Ur-Rehman; Muhammad Asim Raza Basra
Journal:  Int J Mol Sci       Date:  2018-11-15       Impact factor: 5.923

9.  Innovative Three-Step Microwave-Promoted Synthesis of N-Propargyltetrahydroquinoline and 1,2,3-Triazole Derivatives as a Potential Factor Xa (FXa) Inhibitors: Drug Design, Synthesis, and Biological Evaluation.

Authors:  Fabián Santana-Romo; Carlos F Lagos; Yorley Duarte; Francisco Castillo; Yanina Moglie; Miguel A Maestro; Nitin Charbe; Flavia C Zacconi
Journal:  Molecules       Date:  2020-01-23       Impact factor: 4.411
  9 in total

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