The supramolecular host-guest complexation of Vemurafenib with β-cyclodextrin and cucurbit[7]uril as drug photoprotecting systems: A DFT/TD-DFT study
The supramolecular host-guest complexation of the first-line anticancer drug Vemurafenib (VFB) with β-cyclodextrin (β-CD) and cucurbit[7]uril (CB7) is computationally investigated employing the DFT/TD-DFT method in implicit aqueous solutions. The structures of the 1:1 complexes of VFB:β-CD and VFB:C...
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2020
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| Online Access: | http://dx.doi.org/10.1016/j.comptc.2020.113026 https://www.sciencedirect.com/science/article/pii/S2210271X20303261 http://hdl.handle.net/10576/53227 |
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