Panel docking of small-molecule libraries - Prospects to improve efficiency of lead compound discovery

Biotechnology Advances

Volumn 33, Issue 6, 2015, Pages 941-947

  Sarnpitak, Pakornwit ^a   Mujumdar, Prashant ^a   Taylor, Paul ^b   Cross, Megan ^a   Coster, Mark J ^a   Gorse, Alain Dominique ^c   Krasavin, Mikhail ^a   Hofmann, Andreas ^a,d,e  

^a GRIFFITH UNIVERSITY   (Australia)

^b UNIVERSITY OF EDINBURGH   (United Kingdom)

^c UNIVERSITY OF QUEENSLAND   (Australia)

^d UNIVERSITY OF MELBOURNE   (Australia)

^e Queensland Tropical Health Alliance   (Australia)

Author keywords

Drug discovery; Molecular docking; Protein kinase inhibitors

Indexed keywords

BINDING SITES; BIOACTIVITY; COST EFFECTIVENESS; DIGITAL LIBRARIES; ENZYMES; INVERSE PROBLEMS; MOLECULES;

COMPUTATIONAL APPROACH; COMPUTATIONAL DOCKINGS; DRUG DISCOVERY; MOLECULAR DOCKING; PROTEIN KINASE INHIBITORS; PROTEIN-BINDING SITES; SMALL-MOLECULE LIBRARY; STRUCTURAL SIMILARITY;

LEAD COMPOUNDS;

BIOASSAY; COMPUTER SIMULATION; CORRELATION; DRUG DEVELOPMENT; EFFICIENCY MEASUREMENT; ENZYME ACTIVITY; HOMINID; INHIBITION; LEAD; MOLECULAR ANALYSIS; PARAMETERIZATION; PROTEIN;

MOLECULAR LIBRARY; PROTEIN BINDING; PROTEIN KINASE INHIBITOR;

CHEMISTRY; DRUG DEVELOPMENT; HUMAN; METABOLISM; MOLECULAR DOCKING; MOLECULAR LIBRARY;

DRUG DISCOVERY; HUMANS; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; PROTEIN KINASE INHIBITORS; SMALL MOLECULE LIBRARIES;

EID: 84939264266     PISSN: 07349750     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.biotechadv.2015.05.006     Document Type: Review

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