+ Site Statistics
+ Search Articles
+ PDF Full Text Service
How our service works
Request PDF Full Text
+ Follow Us
Follow on Facebook
Follow on Twitter
Follow on LinkedIn
+ Subscribe to Site Feeds
Most Shared
PDF Full Text
+ Translate
+ Recently Requested

Knowledge-based approaches in the design and selection of compound libraries for drug discovery

Knowledge-based approaches in the design and selection of compound libraries for drug discovery

Current Opinion in Drug Discovery and Development 5(3): 400-406

In the past decade, the pharmaceutical industry has realized the increasing significance of impacting the early phase hit-to-lead development in the drug discovery process. In particular, knowledge-based approaches emerged and evolved to address a multitude of issues such as absorption, distribution, metabolism and excretion (ADME), potency, toxicity and overall drugability. Each of these approaches seeks to bring together all relevant pieces of information and create a knowledge-oriented process to deploy such information in drug discovery. This review focuses on work relating to drugability, which aims at obtaining hits (or leads) that have enhanced likelihoods of leading to successful clinical candidates by medicinal chemistry efforts. The period covered in this review is from 1997 (since the publication of Lipinski's rule of 5) to March 2002.

Please choose payment method:

(PDF emailed within 1 workday: $29.90)

Accession: 046508735

Download citation: RISBibTeXText

PMID: 12058615

Related references

Knowledge-based approaches for the design of small-molecule libraries for drug discovery. Ghose, Arup K , Reprint Author, Viswanadhan, Vellarkad N , Reprint Author Combinatorial library design and evaluation: Principles, software tools, and applications in drug discovery: 267-289, 2001

Design of compound libraries for use in drug discovery. Tanpakushitsu Kakusan Koso. Protein Nucleic Acid Enzyme 54(12 Suppl): 1542-1550, 2009

Combinatorial compound libraries for enhanced drug discovery approaches. 2013

Computational approaches towards the rational design of drug-like compound libraries. Combinatorial Chemistry & High Throughput Screening 4(6): 453-475, 2001

Combinatorial Synthesis The Design of Compound Libraries and their Application to Drug Discovery. Tetrahedron 51(30): 8135-8173, 1995

Pure compound libraries; a new perspective for natural product based drug discovery. Drug Discovery Today 6(16): 840-847, 15 August, 2001

A knowledge-based approach in designing combinatorial or medicinal chemistry libraries for drug discovery. 1. A qualitative and quantitative characterization of known drug databases. Journal of Combinatorial Chemistry 1(1): 55-68, 1999

Knowledge-based chemoinformatic approaches to drug discovery. Drug Discovery Today 11(23-24): 1107-1114, 2006

Drug Discovery Technology and Development 2005 - IBC's Tenth World Congress. Filling the gaps in compound libraries and enhancing compound collections. Idrugs 8(10): 802-804, 2005

Magnetic beads-based neuraminidase enzyme microreactor as a drug discovery tool for screening inhibitors from compound libraries and fishing ligands from natural products. Journal of Chromatography. a 1568: 123-130, 2018

Computational chemogenomics approaches to systematic knowledge-based drug discovery. Current Opinion in Drug Discovery and Development 7(3): 304-313, 2004

In silico tools used for compound selection during target-based drug discovery and development. Expert Opinion on Drug Discovery 10(8): 901-923, 2015

A potent anti-HIV compound produced through knowledge-based design of a phage display selection strategy. Journal of Human Virology 3(5): 242, September-October, 2000

Discovery of novel inhibitors of Aurora kinases with indazole scaffold: In silico fragment-based and knowledge-based drug design. European Journal of Medicinal Chemistry 124: 186-199, 2016

Computational approaches towards the quantification of molecular diversity and design of compound libraries. Exs 2003(93): 125-156, 2003