The Development and Implementation of Bioanalytical Methods Using LC-MS to Support ADME Studies in Early Drug Discovery and Candidate Selection

2002 ◽  
pp. 155-183 ◽  
Author(s):  
T. V. Olah
Keyword(s):  
Drug Discovery ◽  
Bioanalytical Methods ◽  
Candidate Selection ◽  
Early Drug

Ligand- and Structure-Based Drug Design and Optimization using KNIME

2020 ◽  
Vol 27 (38) ◽  
pp. 6458-6479 ◽  
Author(s):  
Michael P. Mazanetz ◽  
Charlotte H.F. Goode ◽  
Ewa I. Chudyk
Keyword(s):  
Drug Discovery ◽  
Drug Design ◽  
Candidate Selection ◽  
Structure Based Drug Design ◽  
Design And Optimization ◽  
Open Source Data ◽  
Source Data ◽  
Recent Developments ◽  
Hit Identification ◽  
Early Drug

In recent years there has been a paradigm shift in how data is being used to progress early drug discovery campaigns from hit identification to candidate selection. Significant developments in data mining methods and the accessibility of tools for research scientists have been instrumental in reducing drug discovery timelines and in increasing the likelihood of a chemical entity achieving drug development milestones. KNIME, the Konstanz Information Miner, is a leading open source data analytics platform and has supported drug discovery endeavours for over a decade. KNIME provides a rich palette of tools supported by an extensive community of contributors to enable ligandand structure-based drug design. This review will examine recent developments within the KNIME platform to support small-molecule drug design and provide a perspective on the challenges and future developments within this field.

High throughput P450 inhibition screens in early drug discovery

2005 ◽  
Vol 10 (21) ◽  
pp. 1443-1450 ◽  
Author(s):  
Gregor Zlokarnik ◽  
Peter D.J. Grootenhuis ◽  
John B. Watson
Keyword(s):  
Drug Discovery ◽  
High Throughput ◽  
Early Drug

Strategic applications of toxicogenomics in early drug discovery

2008 ◽  
Vol 8 (5) ◽  
pp. 654-660 ◽  
Author(s):  
T RYAN ◽  
J STEVENS ◽  
C THOMAS
Keyword(s):  
Drug Discovery ◽  
Early Drug

Role of Bioinformatics in Early Drug Discovery: An Overview and Perspective

2021 ◽  
pp. 49-67
Author(s):  
Shasank S. Swain ◽  
Tahziba Hussain
Keyword(s):  
Drug Discovery ◽  
Early Drug

Target Immobilization and NMR Screening of Fragments in Early Drug Discovery

2009 ◽  
Vol 9 (18) ◽  
pp. 1736-1745 ◽  
Author(s):  
Gregg Siegal ◽  
Johan Hollander
Keyword(s):  
Drug Discovery ◽  
Nmr Screening ◽  
Early Drug

scholarly journals Next-Generation Phenotypic Screening in Early Drug Discovery for Infectious Diseases

2019 ◽  
Vol 35 (7) ◽  
pp. 559-570 ◽  
Author(s):  
Nathalie Aulner ◽  
Anne Danckaert ◽  
JongEun Ihm ◽  
David Shum ◽  
Spencer L. Shorte
Keyword(s):  
Drug Discovery ◽  
Infectious Diseases ◽  
Phenotypic Screening ◽  
Next Generation ◽  
Early Drug
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