Literature DB >> 20960255

The choice of atomic charges calculation scheme in 3D-QSAR modelling of GSK-3β inhibition by paullones.

D I Osolodkin1, D A Shulga, D A Tsareva, A A Oliferenko, V A Palyulin, N S Zefirov.   

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Year:  2010        PMID： 20960255     DOI： 10.1134/S1607672910050145

Source DB:  PubMed          Journal:  Dokl Biochem Biophys        ISSN： 1607-6729            Impact factor:   0.788


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  12 in total

1.  Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins.

Authors:  R D Cramer; D E Patterson; J D Bunce
Journal:  J Am Chem Soc       Date:  1988-08-01       Impact factor: 15.419

2.  Fast tools for calculation of atomic charges well suited for drug design.

Authors:  D A Shulga; A A Oliferenko; S A Pisarev; V A Palyulin; N S Zefirov
Journal:  SAR QSAR Environ Res       Date:  2008 Jan-Mar       Impact factor: 3.000

3.  Kirchhoff atomic charges fitted to multipole moments: implementation for a virtual screening system.

Authors:  Olexander Yakovenko; Alexander A Oliferenko; Volodymyr G Bdzhola; Vladimir A Palyulin; Nikolai S Zefirov
Journal:  J Comput Chem       Date:  2008-06       Impact factor: 3.376

4.  Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activity.

Authors:  G Klebe; U Abraham; T Mietzner
Journal:  J Med Chem       Date:  1994-11-25       Impact factor: 7.446

5.  Discovery and initial characterization of the paullones, a novel class of small-molecule inhibitors of cyclin-dependent kinases.

Authors:  D W Zaharevitz; R Gussio; M Leost; A M Senderowicz; T Lahusen; C Kunick; L Meijer; E A Sausville
Journal:  Cancer Res       Date:  1999-06-01       Impact factor: 12.701

6.  Paullones, a series of cyclin-dependent kinase inhibitors: synthesis, evaluation of CDK1/cyclin B inhibition, and in vitro antitumor activity.

Authors:  C Schultz; A Link; M Leost; D W Zaharevitz; R Gussio; E A Sausville; L Meijer; C Kunick
Journal:  J Med Chem       Date:  1999-07-29       Impact factor: 7.446

Review 7.  Role of glycogen synthase kinase-3 in insulin resistance and type 2 diabetes.

Authors:  Erik J Henriksen; Betsy B Dokken
Journal:  Curr Drug Targets       Date:  2006-11       Impact factor: 3.465

8.  9-cyano-1-azapaullone (cazpaullone), a glycogen synthase kinase-3 (GSK-3) inhibitor activating pancreatic beta cell protection and replication.

Authors:  Hendrik Stukenbrock; Rainer Mussmann; Marcus Geese; Yoan Ferandin; Olivier Lozach; Thomas Lemcke; Simone Kegel; Alexander Lomow; Ulrike Burk; Cord Dohrmann; Laurent Meijer; Matthias Austen; Conrad Kunick
Journal:  J Med Chem       Date:  2008-03-18       Impact factor: 7.446

Review 9.  GSK-3: a key player in neurodegeneration and memory.

Authors:  Karl Peter Giese
Journal:  IUBMB Life       Date:  2009-05       Impact factor: 3.885

10.  Evaluation and comparison of 3D-QSAR CoMSIA models for CDK1, CDK5, and GSK-3 inhibition by paullones.

Authors:  Conrad Kunick; Kathrin Lauenroth; Karen Wieking; Xu Xie; Christiane Schultz; Rick Gussio; Daniel Zaharevitz; Maryse Leost; Laurent Meijer; Alexander Weber; Flemming S Jørgensen; Thomas Lemcke
Journal:  J Med Chem       Date:  2004-01-01       Impact factor: 7.446
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