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Literature DB >> 24575960

Computational target fishing: what should chemogenomics researchers expect for the future of in silico drug design and discovery?

Lirong Wang¹, Xiang-Qun Xie.

Abstract

Entities: Disease Species

Mesh：

Year: 2014 PMID： 24575960 PMCID： PMC4508123 DOI： 10.4155/fmc.14.5

Source DB: PubMed Journal: Future Med Chem ISSN： 1756-8919 Impact factor: 3.808

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9 in total

1. Prediction of biological targets for compounds using multiple-category Bayesian models trained on chemogenomics databases.

Authors: Meir Glick; John W Davies; Jeremy L Jenkins
Journal: J Chem Inf Model Date: 2006 May-Jun Impact factor: 4.956

2. Computational profiling of bioactive compounds using a target-dependent composite workflow.

Authors: Jamel Meslamani; Ricky Bhajun; Francois Martz; Didier Rognan
Journal: J Chem Inf Model Date: 2013-08-26 Impact factor: 4.956

3. Access to patient-level trial data--a boon to drug developers.

Authors: Hans-Georg Eichler; Frank Pétavy; Francesco Pignatti; Guido Rasi
Journal: N Engl J Med Date: 2013-10-21 Impact factor: 91.245

4. TargetHunter: an in silico target identification tool for predicting therapeutic potential of small organic molecules based on chemogenomic database.

Authors: Lirong Wang; Chao Ma; Peter Wipf; Haibin Liu; Weiwei Su; Xiang-Qun Xie
Journal: AAPS J Date: 2013-01-05 Impact factor: 4.009

5. GPU accelerated chemical similarity calculation for compound library comparison.

Authors: Chao Ma; Lirong Wang; Xiang-Qun Xie
Journal: J Chem Inf Model Date: 2011-07-01 Impact factor: 4.956

6. Predicting new molecular targets for known drugs.

Authors: Michael J Keiser; Vincent Setola; John J Irwin; Christian Laggner; Atheir I Abbas; Sandra J Hufeisen; Niels H Jensen; Michael B Kuijer; Roberto C Matos; Thuy B Tran; Ryan Whaley; Richard A Glennon; Jérôme Hert; Kelan L H Thomas; Douglas D Edwards; Brian K Shoichet; Bryan L Roth
Journal: Nature Date: 2009-11-01 Impact factor: 49.962

7. Identifying compound-target associations by combining bioactivity profile similarity search and public databases mining.

Authors: Tiejun Cheng; Qingliang Li; Yanli Wang; Stephen H Bryant
Journal: J Chem Inf Model Date: 2011-08-18 Impact factor: 4.956

8. TarFisDock: a web server for identifying drug targets with docking approach.

Authors: Honglin Li; Zhenting Gao; Ling Kang; Hailei Zhang; Kun Yang; Kunqian Yu; Xiaomin Luo; Weiliang Zhu; Kaixian Chen; Jianhua Shen; Xicheng Wang; Hualiang Jiang
Journal: Nucleic Acids Res Date: 2006-07-01 Impact factor: 16.971

9. Automated docking screens: a feasibility study.

Authors: John J Irwin; Brian K Shoichet; Michael M Mysinger; Niu Huang; Francesco Colizzi; Pascal Wassam; Yiqun Cao
Journal: J Med Chem Date: 2009-09-24 Impact factor: 7.446

9 in total

14 in total

Computational target fishing: what should chemogenomics researchers expect for the future of in silico drug design and discovery?

1. Prediction of biological targets for compounds using multiple-category Bayesian models trained on chemogenomics databases.

2. Computational profiling of bioactive compounds using a target-dependent composite workflow.

3. Access to patient-level trial data--a boon to drug developers.

4. TargetHunter: an in silico target identification tool for predicting therapeutic potential of small organic molecules based on chemogenomic database.

5. GPU accelerated chemical similarity calculation for compound library comparison.

6. Predicting new molecular targets for known drugs.

7. Identifying compound-target associations by combining bioactivity profile similarity search and public databases mining.

8. TarFisDock: a web server for identifying drug targets with docking approach.

9. Automated docking screens: a feasibility study.

Review 1. Providing data science support for systems pharmacology and its implications to drug discovery.

2. Novel Vein Patterns in Arabidopsis Induced by Small Molecules.

3. Systematic Understanding of the Mechanism of Salvianolic Acid A via Computational Target Fishing.

4. Systematic elucidation of the mechanism of geraniol via network pharmacology.

5. Identification of a Potential Target of Capsaicin by Computational Target Fishing.

6. Bioactivities of Compounds from Elephantopus scaber, an Ethnomedicinal Plant from Southwest China.

Review 7. Computational approaches in target identification and drug discovery.

8. Antitumor Mechanisms of Curcumae Rhizoma Based on Network Pharmacology.

9. Systematic Elucidation of the Mechanism of Oroxylum indicum via Network Pharmacology.

10. Synergism of antihypertensives and cholinesterase inhibitors in Alzheimer's disease.