Literature DB >> 19533371

OpenCDLig: a free web application for sharing resources about cyclodextrin/ligand complexes.

Roberto Esposito1, Giuseppe Ermondi, Giulia Caron.   

Abstract

OpenCDLig (freely available at https://kdd.di.unito.it/casmedchem ) implements a repository of complexes formed by cyclodextrins (CDs) and ligands (L) with related experimental data and make it available by an easy to use web interface. At the present time, the application supports two kinds of data: K, the association constant of a CD/L complex in [M(-1)] and 3D structures in mol2 format. OpenCDLig is meant to become a community maintained source of experimental resources related to cyclodextrin complexes.

Entities:  

Mesh：

Substances：

Year:  2009        PMID： 19533371     DOI： 10.1007/s10822-009-9290-3

Source DB:  PubMed          Journal:  J Comput Aided Mol Des        ISSN： 0920-654X            Impact factor:   3.686


  11 in total

1.  Complexation Thermodynamics of Cyclodextrins.

Authors:  Mikhail V. Rekharsky; Yoshihisa Inoue
Journal:  Chem Rev       Date:  1998-07-30       Impact factor: 60.622

2.  Introduction and General Overview of Cyclodextrin Chemistry.

Authors:  József Szejtli
Journal:  Chem Rev       Date:  1998-07-30       Impact factor: 60.622

3.  The Stability of Cyclodextrin Complexes in Solution.

Authors:  Kenneth A. Connors
Journal:  Chem Rev       Date:  1997-08-05       Impact factor: 60.622

4.  Thermodynamics of binding of neutral molecules to sulfobutyl ether beta-cyclodextrins (SBE-beta-CDs): the effect of total degree of substitution.

Authors:  V Zia; R A Rajewski; V J Stella
Journal:  Pharm Res       Date:  2000-08       Impact factor: 4.200

Review 5.  Binding affinities of host-guest, protein-ligand, and protein-transition-state complexes.

Authors:  K N Houk; Andrew G Leach; Susanna P Kim; Xiyun Zhang
Journal:  Angew Chem Int Ed Engl       Date:  2003-10-20       Impact factor: 15.336

6.  Recent advances in chemoinformatics.

Authors:  Dimitris K Agrafiotis; Deepak Bandyopadhyay; Jörg K Wegner; Herman van Vlijmen
Journal:  J Chem Inf Model       Date:  2007-05-19       Impact factor: 4.956

7.  Foreign language translation of chemical nomenclature by computer.

Authors:  Roger Sayle
Journal:  J Chem Inf Model       Date:  2009-03       Impact factor: 4.956

8.  Effect of cyclodextrin charge on complexation of neutral and charged substrates: comparison of (SBE)7M-beta-CD to HP-beta-CD.

Authors:  V Zia; R A Rajewski; V J Stella
Journal:  Pharm Res       Date:  2001-05       Impact factor: 4.200

Review 9.  Cyclodextrins: their future in drug formulation and delivery.

Authors:  V J Stella; R A Rajewski
Journal:  Pharm Res       Date:  1997-05       Impact factor: 4.200

10.  Production of cyclodextrins, a novel carbohydrate, in the tubers of transgenic potato plants.

Authors:  J V Oakes; C K Shewmaker; D M Stalker
Journal:  Biotechnology (N Y)       Date:  1991-10
View more
  3 in total

1.  Cyclodextrin KnowledgeBase a web-based service managing CD-ligand complexation data.

Authors:  Eszter Hazai; Istvan Hazai; Laszlo Demko; Sandor Kovacs; David Malik; Peter Akli; Peter Hari; Julianna Szeman; Eva Fenyvesi; Edina Benes; Lajos Szente; Zsolt Bikadi
Journal:  J Comput Aided Mol Des       Date:  2010-06-03       Impact factor: 3.686

2.  Open Babel: An open chemical toolbox.

Authors:  Noel M O'Boyle; Michael Banck; Craig A James; Chris Morley; Tim Vandermeersch; Geoffrey R Hutchison
Journal:  J Cheminform       Date:  2011-10-07       Impact factor: 5.514

3.  α-Cyclodextrin dimer complexes of dopamine and levodopa derivatives to assess drug delivery to the central nervous system: ADME and molecular docking studies.

Authors:  Sergey Shityakov; Jens Broscheit; Carola Förster
Journal:  Int J Nanomedicine       Date:  2012-06-27
  3 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.