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Literature DB >> 12120506

Chemical database techniques in drug discovery.

Abstract

Chemical databases are becoming a powerful tool in drug discovery. Database searches based on possible requirements for biological activity can identify compounds that might be suitable for further analysis or indicate novel ways to achieve the desired activity. What considerations are involved in the construction and searching of chemical databases?

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Year: 2002 PMID： 12120506 DOI： 10.1038/nrd745

Source DB: PubMed Journal: Nat Rev Drug Discov ISSN： 1474-1776 Impact factor: 84.694

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Cited

20 in total

1. Discovery of drug mode of action and drug repositioning from transcriptional responses.

Authors: Francesco Iorio; Roberta Bosotti; Emanuela Scacheri; Vincenzo Belcastro; Pratibha Mithbaokar; Rosa Ferriero; Loredana Murino; Roberto Tagliaferri; Nicola Brunetti-Pierri; Antonella Isacchi; Diego di Bernardo
Journal: Proc Natl Acad Sci U S A Date: 2010-08-02 Impact factor: 11.205

2. Privacy-preserving search for chemical compound databases.

Authors: Kana Shimizu; Koji Nuida; Hiromi Arai; Shigeo Mitsunari; Nuttapong Attrapadung; Michiaki Hamada; Koji Tsuda; Takatsugu Hirokawa; Jun Sakuma; Goichiro Hanaoka; Kiyoshi Asai
Journal: BMC Bioinformatics Date: 2015-12-09 Impact factor: 3.169

3. Reverse fingerprinting, similarity searching by group fusion and fingerprint bit importance.

Authors: Chris Williams
Journal: Mol Divers Date: 2006-09-21 Impact factor: 2.943

Review 4. Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection--what can we learn from earlier mistakes?

Authors: Johannes Kirchmair; Patrick Markt; Simona Distinto; Gerhard Wolber; Thierry Langer
Journal: J Comput Aided Mol Des Date: 2008-01-15 Impact factor: 3.686

5. Elucidating Compound Mechanism of Action by Network Perturbation Analysis.

Authors: Jung Hoon Woo; Yishai Shimoni; Wan Seok Yang; Prem Subramaniam; Archana Iyer; Paola Nicoletti; María Rodríguez Martínez; Gonzalo López; Michela Mattioli; Ronald Realubit; Charles Karan; Brent R Stockwell; Mukesh Bansal; Andrea Califano
Journal: Cell Date: 2015-07-16 Impact factor: 41.582

Review 10. Computational strategies for the discovery of biological functions of health foods, nutraceuticals and cosmeceuticals: a review.

Authors: Laureano E Carpio; Yolanda Sanz; Rafael Gozalbes; Stephen J Barigye
Journal: Mol Divers Date: 2021-07-14 Impact factor: 3.364

Chemical database techniques in drug discovery.

1. Discovery of drug mode of action and drug repositioning from transcriptional responses.

2. Privacy-preserving search for chemical compound databases.

3. Reverse fingerprinting, similarity searching by group fusion and fingerprint bit importance.

Review 4. Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection--what can we learn from earlier mistakes?

5. Elucidating Compound Mechanism of Action by Network Perturbation Analysis.

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

7. A novel method of transcriptional response analysis to facilitate drug repositioning for cancer therapy.

8. Tunable machine vision-based strategy for automated annotation of chemical databases.

9. Activity of an antimicrobial peptide mimetic against planktonic and biofilm cultures of oral pathogens.

Review 10. Computational strategies for the discovery of biological functions of health foods, nutraceuticals and cosmeceuticals: a review.