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In this work, the probability of Rhein to be a multi-target radiotherapy sensitization agent was explored through computer aid virtual screening by inverse docking study.
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A possible interpretation of our evaluation result has been presented by a molecular docking study by docking representative compound 8c with VEGFR-2.
The experiment was explained by a docking study.
The results were further investigated by molecular docking study.
Possibly important biological activity of BMMBI molecule was also confirmed by molecular docking study.
Finally, the HDAC8 selectivity of 12a, 12b and 12c was rationalized by molecular docking study.
The observed structure-activity relationships were rationalized by a docking study.
365,602 compounds from NCI database have been screened by docking study of H1 and N1, respectively.
The anticipated analogy of these four compounds was evaluated by a computational docking study with the flexible docking program Fleksy.
The significant cytotoxicity and tubulin polymerization inhibition by A-2 was further rationalized by docking studies where it was docked at the curcumin binding site of tubulin.
The agonist activity of PPARα exhibited by compound 5d was examined by molecular docking studies.
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