Literature DB >> 18053714

Structure and property based design of factor Xa inhibitors: biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs.

Robert J Young1, Alan D Borthwick, David Brown, Cynthia L Burns-Kurtis, Matthew Campbell, Chuen Chan, Marie Charbaut, Máire A Convery, Hawa Diallo, Eric Hortense, Wendy R Irving, Henry A Kelly, N Paul King, Savvas Kleanthous, Andrew M Mason, Anthony J Pateman, Angela N Patikis, Ivan L Pinto, Derek R Pollard, Stefan Senger, Gita P Shah, John R Toomey, Nigel S Watson, Helen E Weston, Ping Zhou.   

Abstract

Structure and property based drug design was exploited in the synthesis of sulfonamidopyrrolidin-2-one-based factor Xa (fXa) inhibitors, incorporating basic biaryl P4 groups, producing highly potent inhibitors with significant anticoagulant activities and encouraging oral pharmacokinetic profiles.

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Year:  2007        PMID: 18053714     DOI: 10.1016/j.bmcl.2007.11.019

Source DB:  PubMed          Journal:  Bioorg Med Chem Lett        ISSN: 0960-894X            Impact factor:   2.823


  2 in total

1.  CSAR 2014: A Benchmark Exercise Using Unpublished Data from Pharma.

Authors:  Heather A Carlson; Richard D Smith; Kelly L Damm-Ganamet; Jeanne A Stuckey; Aqeel Ahmed; Maire A Convery; Donald O Somers; Michael Kranz; Patricia A Elkins; Guanglei Cui; Catherine E Peishoff; Millard H Lambert; James B Dunbar
Journal:  J Chem Inf Model       Date:  2016-05-17       Impact factor: 4.956

2.  Hidden bias in the DUD-E dataset leads to misleading performance of deep learning in structure-based virtual screening.

Authors:  Lieyang Chen; Anthony Cruz; Steven Ramsey; Callum J Dickson; Jose S Duca; Viktor Hornak; David R Koes; Tom Kurtzman
Journal:  PLoS One       Date:  2019-08-20       Impact factor: 3.240

  2 in total

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