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De novo design based pharmacophore query generation and virtual screening for the discovery of Hsp-47 inhibitors.

Biochemical and biophysical research communications (2014-12-20)
Atul Katarkar, Pallab Kanti Haldar, Keya Chaudhuri
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.

MATERIALS
Product Number
Brand
Product Description

Sigma-Aldrich
Collagen, Type I solution from rat tail, BioReagent, suitable for cell culture, sterile-filtered
Sigma-Aldrich
Collagen from human placenta, Bornstein and Traub Type IV, powder, BioReagent, suitable for cell culture
Sigma-Aldrich
Collagen from rat tail, Bornstein and Traub Type I, powder, BioReagent, suitable for cell culture
Sigma-Aldrich
Collagen from human placenta, Bornstein and Traub Type IV, powder
Sigma-Aldrich
Collagen from calf skin, Bornstein and Traub Type I, (0.1% solution in 0.1 M acetic acid), aseptically processed, BioReagent, suitable for cell culture
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Collagen from bovine achilles tendon, powder, suitable for substrate for collagenase
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Collagen from chicken sternal cartilage, Type II (Miller), powder, BioReagent, suitable for cell culture
Sigma-Aldrich
Collagen from calf skin, Bornstein and Traub Type I, solid, BioReagent, suitable for cell culture
Sigma-Aldrich
Collagen Type IV from human cell culture, Bornstein and Traub Type IV, 0.3 mg/mL, sterile-filtered, BioReagent, suitable for cell culture
Sigma-Aldrich
Collagen from human placenta, Bornstein and Traub Type I (Sigma Type VIII), powder
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Collagen from calf skin, Bornstein and Traub Type I (Sigma Type III), solid
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Collagen from bovine nasal septum, Bornstein and Traub Type II, powder
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Collagen human, Bornstein and Traub Type I, acid soluble, powder, ~95% (SDS-PAGE)
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Collagen from human placenta, Bornstein and Traub Type III (Sigma Type X), powder
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Collagen from Engelbreth-Holm-Swarm murine sarcoma basement membrane, Type IV (Miller), lyophilized powder, BioReagent, suitable for cell culture
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Collagen from human placenta, Bornstein and Traub Type IV, solution, suitable for cell culture, High Performance
Sigma-Aldrich
Collagen from rat tail, Bornstein and Traub Type I (Sigma Type VII), powder
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Collagen from bovine tracheal cartilage, Bornstein and Traub Type II, powder
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Collagen from human placenta, Bornstein and Traub Type IV, powder
Sigma-Aldrich
Collagen from human placenta, Bornstein and Traub Type V (Sigma Type IX), powder
Sigma-Aldrich
Collagen from rabbit skin, Bornstein and Traub Type I, powder

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