Challenges in docking 2′-hydroxy and 2′,4′-dihydroxychalcones into the binding site of ALR2

An Old NSAID Revisited: Crystal Structure of Aldose Reductase in Complex with Sulindac at 1.0 Å Supports a Novel Mechanism for its Anticancer and Antiproliferative Effects

(2011) Holger Steuber   ChemMedChem

The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase

(2011) Xuehua Zheng et al.   FEBS LETTERS

Dietary chalcones with chemopreventive and chemotherapeutic potential

(2011) Barbora Orlikova et al.   Genes and Nutrition

PLS-DA - Docking Optimized Combined Energetic Terms (PLSDA-DOCET) Protocol: A Brief Evaluation

(2011) Sorin Avram et al.   Journal of Chemical Information and Modeling

QSAR and flexible docking studies of some aldose reductase inhibitors obtained from natural origin

(2011) Shailesh V. Jain et al.   MEDICINAL CHEMISTRY RESEARCH

Reorganizing the protein space at the Universal Protein Resource (UniProt)

(2011)   NUCLEIC ACIDS RESEARCH

Design and synthesis of novel series of pyrrole based chemotypes and their evaluation as selective aldose reductase inhibitors. A case of bioisosterism between a carboxylic acid moiety and that of a tetrazole

(2010) Kyriaki Pegklidou et al.   BIOORGANIC & MEDICINAL CHEMISTRY

PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprints

(2010) Chun Wei Yap   JOURNAL OF COMPUTATIONAL CHEMISTRY

Experimental validation and docking studies of flavone derivatives on aldose reductase involved in diabetic retinopathy, neuropathy, and nephropathy

(2010) Pagadala Nataraj Sekhar et al.   MEDICINAL CHEMISTRY RESEARCH

Synthesis, in vitro antimicrobial and antioxidant activities of chalcone and flavone derivatives holding allylic substitutions

(2010) Hadi Adibi et al.   MEDICINAL CHEMISTRY RESEARCH

A rapid access to new coumarinyl chalcone and substituted chromeno[4,3-c]pyrazol-4(1H)-ones and their antibacterial and DPPH radical scavenging activities

(2010) Naceur Hamdi et al.   MEDICINAL CHEMISTRY RESEARCH

Evaluating docking programs: keeping the playing field level

(2008) John W. Liebeschuetz   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

How to do an evaluation: pitfalls and traps

(2008) Paul C. D. Hawkins et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Recommendations for evaluation of computational methods

(2008) Ajay N. Jain et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Merging the Binding Sites of Aldose and Aldehyde Reductase for Detection of Inhibitor Selectivity-determining Features

(2008) Holger Steuber et al.   JOURNAL OF MOLECULAR BIOLOGY

Synthesis and pharmacological evaluation of antioxidant chalcone derivatives of 2(3H)-benzoxazolones

(2008) Hocine Aichaoui et al.   MEDICINAL CHEMISTRY RESEARCH