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2012 | 59 | 4 | 653-660
Article title

Assessment of the free binding energy of 1,25-dihydroxyvitamin D3 and its analogs with the human VDR receptor model

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EN
Abstracts
EN
1,25-dihydroxyvitamin D3 has quite significant anticancer properties, but its strong calcemic effect in principle excludes it as a potential anticancer drug. Currently, a lot of effort is being devoted to develop potent anticancer analogs of 1,25-dihydroxyvitamin D3 that would not induce hypercalcemia during therapy. In this work, the free binding energy of the VDR receptor with 1,25-dihydroxyvitamin D3 and its three potent analogs (EB 1089, KH 1060 and RO 25-9022) is calculated and compared with each other. With this approach, we could estimate the relative binding affinity of the most potent analog, RO 25-9022, and also revealed a quite distinct mechanism of its interaction with VDR.
Keywords
Year
Volume
59
Issue
4
Pages
653-660
Physical description
Dates
published
2012
received
2012-06-28
revised
2012-09-21
accepted
2012-10-04
(unknown)
2012-10-16
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Document Type
Publication order reference
YADDA identifier
bwmeta1.element.bwnjournal-article-abpv59p653kz
Identifiers
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