Collagen-binding Molecular Chaperone HSP47: Role in Intestinal Fibrosis – colonic epithelial cells and subepithelial myofibroblasts
Curators: Larry H Bernstein, MD, FCAP and Aviva Lev-Ari, PhD, RN
De novo design based pharmacophore query generation and virtual screening for the discovery of Hsp-47 inhibitors.
Katarkar A1, Haldar PK2, Chaudhuri K3.
Abstract
Heat shock protein-47 (Hsp-47) is exclusive collagen specific molecular chaperone involved in the maturation, processing and secretion of procollagen. Hsp-47 is consistently upregulated in several fibrotic diseases. Till date there is no potential antifibrotic small molecule drug available and Hsp-47 is known to be potential therapeutic target for fibrotic disorder and drug designing. We used the de novo drug design approach followed by pharmacophore generation and virtual screening to propose Hsp-47 based antifibrotic molecules. We used e-LEAD server for de novo drug design and ZINCPharmer for 3D pharmacophore generation and virtual screening. The virtually screened molecule may inhibit direct recruitment of collagen triple helix to interact with Hsp-47 and act as antifibrotic drug.
Copyright © 2014 Elsevier Inc. All rights reserved.
KEYWORDS:
De novo drug designing; Heat shock protein 47; Pharmacophore; Virtual screening
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