Literature DB >> 19128220

Drug-binding databases.

Luís Fernando Saraiva Macedo Timmers1, Ivani Pauli, Rafael Andrade Caceres, Walter Filgueira de Azevedo.   

Abstract

Recent developments in computer power and chemoinformatics methodology make possible that a huge amount of data become available through internet. These databases are devoted to a wide spectrum of scientific fields. Here we are concerned with databases related to protein-drug interactions. More specifically, databases where potential new molecules could be accessed to be used in virtual screening initiatives. In the past decade several databases have been developed where molecules to be used in the virtual screening could be easily identified, downloaded and even purchased. This review describes and summarizes the recent advances in the development of these databases, and also the main applications related to virtual screening projects.

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Year:  2008        PMID: 19128220     DOI: 10.2174/138945008786949379

Source DB:  PubMed          Journal:  Curr Drug Targets        ISSN: 1389-4501            Impact factor:   3.465


  8 in total

Review 1.  Designing antimicrobial peptides: form follows function.

Authors:  Christopher D Fjell; Jan A Hiss; Robert E W Hancock; Gisbert Schneider
Journal:  Nat Rev Drug Discov       Date:  2011-12-16       Impact factor: 84.694

2.  Identification of new potential Mycobacterium tuberculosis shikimate kinase inhibitors through molecular docking simulations.

Authors:  Carolina Pasa Vianna; Walter F de Azevedo
Journal:  J Mol Model       Date:  2011-05-19       Impact factor: 1.810

3.  Targeting imidazoline site on monoamine oxidase B through molecular docking simulations.

Authors:  Fernanda Pretto Moraes; Walter Filgueira de Azevedo
Journal:  J Mol Model       Date:  2012-03-17       Impact factor: 1.810

Review 4.  Computational methods for de novo protein design and its applications to the human immunodeficiency virus 1, purine nucleoside phosphorylase, ubiquitin specific protease 7, and histone demethylases.

Authors:  M L Bellows; C A Floudas
Journal:  Curr Drug Targets       Date:  2010-03       Impact factor: 3.465

5.  Molecular dynamics studies of a hexameric purine nucleoside phosphorylase.

Authors:  Fernando Berton Zanchi; Rafael Andrade Caceres; Rodrigo Guerino Stabeli; Walter Filgueira de Azevedo
Journal:  J Mol Model       Date:  2009-08-11       Impact factor: 1.810

6.  Virtual Screening with AutoDock: Theory and Practice.

Authors:  Sandro Cosconati; Stefano Forli; Alex L Perryman; Rodney Harris; David S Goodsell; Arthur J Olson
Journal:  Expert Opin Drug Discov       Date:  2010-06-01       Impact factor: 6.098

7.  Molecular modeling and dynamics studies of purine nucleoside phosphorylase from Bacteroides fragilis.

Authors:  Ivani Pauli; Luis Fernando Saraiva Macedo Timmers; Rafael Andrade Caceres; Luiz Augusto Basso; Diógenes Santiago Santos; Walter Filgueira de Azevedo
Journal:  J Mol Model       Date:  2009-01-27       Impact factor: 1.810

8.  A lupane-triterpene isolated from Combretum leprosum Mart. fruit extracts that interferes with the intracellular development of Leishmania (L.) amazonensis in vitro.

Authors:  Carolina Bioni Garcia Teles; Leandro Soares Moreira-Dill; Alexandre de Almeida Silva; Valdir Alves Facundo; Walter F de Azevedo; Luiz Hildebrando Pereira da Silva; Maria Cristina M Motta; Rodrigo Guerino Stábeli; Izaltina Silva-Jardim
Journal:  BMC Complement Altern Med       Date:  2015-06-06       Impact factor: 3.659

  8 in total

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