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2.7. Molecular docking
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Molegro Virtual Docker and PyMOL v1.7.4.5. were used to calculate the best binding conformation of GL in the catalytic site of UGT1A1, and the structure of Sterol 3-beta-glucosyltransferase (ugt51) from Saccharomyces cerevisiae (SMTL ID: 5gl5.1) was used as a template to construct the 3D structures of UGT1A1 by homology modeling by employing the Swiss Model. The chem3D 16.0 was used to build the structures of GL for molecular docking.
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This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
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