期刊
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY
卷 21, 期 2, 页码 163-171出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/14756360500533026
关键词
berberine; tyrosine phosphatase; h-PTP 1B; diabetes; docking simulations; inhibition
Berberine was investigated as an inhibitor of human protein tyrosine phosphatase 1 B (h-PTP 1 B) in an attempt to explain its anti-hyperglycemic activitiy. The investigation included simulated docking experiments to fit berberine within the binding pocket of h-PTP 1B. Berberine was found to readily fit within the binding pocket of h-PTP 1B in a low energy orientation characterized with optimal electrostatic attractive interactions bridging the isoquinolinium positively charged nitrogen atom of berberine and the negatively charged acidic residue of ASP 48 of h-PTP I B. Experimentally, berberine was found to potently competitively inhibit recombinant h-PTP 1B in vitro (Ki value = 91.3 nM). Our findings strongly suggest that h-PTP 1B inhibition is at least one of the reasons for the reported anti-hyperglycemic activities of berberine.
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