Molecular docking simulation analysis of the interaction of dietary flavonols with heat shock protein 90.
| Autor: | Singh SP; Bioinformatics Infrastructure Facility Centre. salampradeep@gmail.com., Deb CR; Department of Botany., Ahmed SU; Department of Zoology, Nagaland University, Lumami 798627, Nagaland, India., Saratchandra Y; Department of Zoology, Nagaland University, Lumami 798627, Nagaland, India., Konwar BK; Department of Molecular Biology and Biotechnology, Tezpur University, Tezpur-784028, Assam, India. |
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| Jazyk: | angličtina |
| Zdroj: | Journal of biomedical research [J Biomed Res] 2015 Jun 08; Vol. 30. Date of Electronic Publication: 2015 Jun 08. |
| DOI: | 10.7555/JBR.29.20130158 |
| Abstrakt: | Hsp90 is a major protein involved in the stabilization of various proteins in cancer cells. The present investigation focused on the molecular docking simulation studies of flavanols as inhibitors of Hsp90 at the high affinity adenosine triphosphate (ATP) binding site and analyzed absorption, distribution, metabolism, excretion and toxicity (ADME-toxicity). The molecular docking analysis revealed that the flavanols showed competitive inhibition with ATP molecule at the active site and enhanced pharmacological parameters. (© 2016 the Journal of Biomedical Research. All rights reserved.) |
| Databáze: | MEDLINE |
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