Virtual screening for inhibitors of human aldose reductase

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1

2001 • 16,438 citations

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

1997 • 9,861 citations

A Fast Flexible Docking Method using an Incremental Construction Algorithm

1996 • 2,706 citations

Knowledge-based scoring function to predict protein-ligand interactions

2000 • 1,097 citations

Virtual screening—an overview

1998 • 937 citations

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2001 • 757 citations

Structure-based virtual screening: an overview

2002 • 627 citations

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1998 • 504 citations

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1990 • 502 citations

An Unlikely Sugar Substrate Site in the 1.65 Å Structure of the Human Aldose Reductase Holoenzyme Implicated in Diabetic Complications

1992 • 431 citations

Virtual screening and fast automated docking methods

2002 • 370 citations

Reactive compounds and in vitro false positives in HTS

1997 • 351 citations

Recent developments in structure-based drug design

2000 • 245 citations

Novel, potent aldose reductase inhibitors: 3,4-dihydro-4-oxo-3-[[5-(trifluoromethyl)-2-benzothiazolyl]methyl]-1-phthalazineacetic acid (zopolrestat) and congeners

1991 • 230 citations

A ‘specificity’ pocket inferred from the crystal structures of the complexes of aldose reductase with the pharmaceutically important inhibitors tolrestat and sorbinil

1997 • 225 citations

Placement of medium-sized molecular fragments into active sites of proteins

1996 • 205 citations

The Practice of Medicinal Chemistry

2004 • 204 citations

Novel NADPH-binding domain revealed by the crystal structure of aldose reductase

1992 • 193 citations

Successful Virtual Screening for Novel Inhibitors of Human Carbonic Anhydrase: Strategy and Experimental Confirmation

2002 • 170 citations

Refined 1.8 A structure of human aldose reductase complexed with the potent inhibitor zopolrestat.

1993 • 159 citations

Consideration of Molecular Weight during Compound Selection in Virtual Target-Based Database Screening

2002 • 145 citations

A genetic algorithm for structure-based de novo design.

2001 • 124 citations

Evaluation of PMF Scoring in Docking Weak Ligands to the FK506 Binding Protein

1999 • 120 citations

1-Benzopyran-4-one Antioxidants as Aldose Reductase Inhibitors

1999 • 102 citations

The crystal structure of the aldose reductase.NADPH binary complex.

1992 • 101 citations

Virtual screening to enrich hit lists from high‐throughput screening: A case study on small‐molecule inhibitors of angiogenin

2002 • 96 citations

Superstar: improved knowledge-based interaction fields for protein binding sites11Edited by R. Huber

2001 • 94 citations

Untitled

2000 • 93 citations

Defining the Mandate of Proteomics in the Post-Genomics Era: Workshop Report

2002 • 90 citations

Synthesis, Activity, and Molecular Modeling of a New Series of Tricyclic Pyridazinones as Selective Aldose Reductase Inhibitors

1996 • 88 citations

The crystal structure of the aldose reductase.NADPH binary complex.

1992 • 88 citations

1.7 .ANG. Structure of FR-1, a Fibroblast Growth Factor-Induced Member of the Aldo-Keto Reductase Family, Complexed with Coenzyme and Inhibitor

1995 • 73 citations

Proteomics: a major new technology for the drug discovery process

1999 • 66 citations

Structural features of the aldose reductase and aldehyde reductase inhibitor-binding sites.

1998 • 65 citations

Of Genomes and Proteomes

1997 • 63 citations

A Potent Aldose Reductase Inhibitor, (2S,4S)-6-Fluoro-2‘,5‘-dioxospiro[chroman-4,4‘-imidazolidine]-2-carboxamide (Fidarestat): Its Absolute Configuration and Interactions with the Aldose Reductase by X-ray Crystallography

2000 • 62 citations

Discovery of Novel Aldose Reductase Inhibitors Using a Protein Structure-Based Approach: 3D-Database Search Followed by Design and Synthesis

2001 • 56 citations

Discovery of new inhibitors of aldose reductase from molecular docking and database screening

2002 • 54 citations

Synthesis, Activity, and Molecular Modeling of New 2,4-Dioxo-5-(naphthylmethylene)-3-thiazolidineacetic Acids and 2-Thioxo Analogues as Potent Aldose Reductase Inhibitors

1998 • 51 citations

Superstar: comparison of CSD and PDB-based interaction fields as a basis for the prediction of protein-ligand interactions 1 1Edited by R. Huber

2001 • 44 citations

[1,2,4]Triazino[4,3-a]benzimidazole Acetic Acid Derivatives: A New Class of Selective Aldose Reductase Inhibitors

2001 • 40 citations

De Novo Design, Synthesis, and In Vitro Evaluation of Inhibitors for Prokaryotic tRNA-Guanine Transglycosylase: A Dramatic Sulfur Effect on Binding Affinity

2002 • 39 citations

The structure of human aldose reductase bound to the inhibitor IDD384

2000 • 32 citations

Sorbinil: A member of the novel class of spirohydantoin aldose reductase inhibitors

1986 • 20 citations

Synthesis of 3‐aminorhodanine derivatives as aldose reductase inhibitors

1995 • 17 citations

Synthesis and biological activity of aldose reductase inhibitors with Michael acceptor substituents

1999 • 7 citations

Synthesis and aldose reductase inhibitory activities of novel dibenzocycloheptenone derivatives

1999 • 4 citations