Referenced in: none

Automatically associated channels: TRP , TRPV , TRPV1

Title: Novel scaffolds for modulation of TRPV1 identified with pharmacophore modeling and virtual screening.

Authors: Daria Goldmann, Peter Pakfeifer, Steffen Hering, Gerhard F Ecker

Journal, date & volume: Future Med Chem, 2015 , 7, 243-56

PubMed link: http://www.ncbi.nlm.nih.gov/pubmed/25826358

Abstract
The transient receptor potential vanilloid type 1 (TRPV1) is responsible for pain perception in the peripheral nervous system (PNS). TRPV1 is thus considered a versatile target for development of non-opioid analgesics.Pharmacophore-based clustering of a publicly available data set of TRPV1 antagonists revealed a set of models, which were validated with data sets of inactive compounds, decoys and known drug candidates. The top ranked pharmacophore models were subsequently used for virtual screening. Based on a unique in-house protocol, a set of compounds was selected and biologically tested for modulation of TRPV1 in a voltage-clamp model.Pharmacophore models extracted from large public data sets are a valuable source for identification of novel scaffolds for TRPV1 receptor modulation.