Application of GQSAR for scaffold hopping and lead optimization in multitarget inhibitors

Molecular Informatics

Volumn 31, Issue 6-7, 2012, Pages 473-490

  Ajmani, Subhash ^a,b   Kulkarni, Sudhir A ^a,c  

^a NovaLead Pharma Pvt Ltd   (India)

^b JUBILANT BIOSYS LTD   (India)

^c VLife Sciences Technologies   (India)

Author keywords

Group based QSAR; Lead optimization; Multitarget inhibitors; Scaffold hopping

Indexed keywords

COMPUTATIONAL CHEMISTRY; DISEASE CONTROL; SCAFFOLDS;

GROUP BASED QSAR; GROUP-BASED; LEAD OPTIMIZATION; MULTI-TARGETS; MULTIPLE TARGETS; MULTITARGET INHIBITOR; QSAR MODEL; SAFE CONTROL; SCAFFOLD HOPPING; SEROTONIN RECEPTORS;

MOLECULES;

FIBROBLAST GROWTH FACTOR RECEPTOR 1; PIPERAZINE; PIPERIDINE; PLATELET DERIVED GROWTH FACTOR BETA RECEPTOR; PROTEIN TYROSINE KINASE; RIBOSE; SEROTONIN 1A RECEPTOR; SEROTONIN TRANSPORTER;

ARTICLE; CHEMICAL PROCEDURES; ENZYME ACTIVITY; FRAGMENTATION REACTION; GROUP BASED QUANTITATIVE STRUCTURE ACTIVITY RELATION; HINGE REGION; LEAD OPTIMIZATION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SCAFFOLD HOPPING;

EID: 84864237263     PISSN: 18681743     EISSN: 18681751     Source Type: Journal    
DOI: 10.1002/minf.201100160     Document Type: Article

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