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Dr. G. H. Chen

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Catalyzing the reduction of a variety of aldehydes ... pathogenesis of diabetic complications in some organs. such as kidney, peripheral nerve, and eye. ... – PowerPoint PPT presentation

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Title: Dr. G. H. Chen


1
Computer-aided drug design
Dr. G. H. Chen Associate professor Department
of Chemistry Dr. L. H. Hu Postdoctoral
fellow Department of Chemistry
2
Computer aided drug design for aldose reductase
inhibitors
3
Normal Glucose Metabolism
4
Pathology of diabetic complication
Aldose reductase Function Catalyzing the
reduction of a variety of aldehydes to alcohol
in order to detoxify the carbonyl compounds for
normal living organisms For diabetes patients
the blood glucose is in high level, the enzymatic
reaction is so much that intermediate and
products accumulate excessively induce diabetic
complications.
5
Enzymatic Reaction
Sorbitol accumulation is thought to be play a
role in the pathogenesis of diabetic
complications in some organs such as kidney,
peripheral nerve, and eye.
6
Methodology
7
Functional Group Descriptors
8
Aldose reductase active site
9
QSAR
10
Binding of inhibitors
11
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