Identification of novel serotonin 2C receptor ligands by sequential virtual screening

Title
Identification of novel serotonin 2C receptor ligands by sequential virtual screening
Authors
아시프추현아조용서박우규배애님
Keywords
5-HT2c; serotonin; obesity; virtual screening; Agonist
Issue Date
2009-07
Publisher
Bioorganic & medicinal chemistry
Citation
VOL 17, NO 13, 4559-4568
Abstract
Pharmacophore modelling, docking and virtual screening have become important tool in drug discovery process. Serotonin 2C (5-HT2C) receptor ligands have got major attention for their therapeutic uses as antidepressant and anorectic agents. Two step pharmacophore and docking based virtual screening was done using 5-HT2C agonists. Two common feature pharmacophore directed virtual hits had submicromolar activity. Refined pharmacophore with excluded volumes was constructed and combined with homology model based docking. Best hit from this virtual screening showed IC50 of 20.1 nM. Similarity search of this hit compound resulted more active ligand with 7.8 nM activity.
URI
http://pubs.kist.re.kr/handle/201004/35797
ISSN
0968-0896
Appears in Collections:
KIST Publication > Article
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