Application of tipranavir to breast cancer-resistant drug and breast cancer-resistant drug
A tipranavir, anti-breast cancer technology, applied in the field of medicine to achieve the effect of strong affinity and delaying speed
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[0036] The present invention will be described in further detail below in conjunction with accompanying drawing and specific embodiment, and the raw material used in the embodiment is common commercially available unless otherwise specified.
[0037] 1. Virtual Screening
[0038] Using the suflex-docking module in SYBYL2.0 to analyze the active site of Tipranavir (A1, the binding site of the endogenous inhibitor nicotinamide) ( figure 1 with image 3 ) and active site two (A2, the binding site of the exogenous inhibitor EX527) ( figure 2 with Figure 4 ) combination mode and amino acid residues.
[0039] For active site one and two ( Figure 5 ) after virtual screening, the top 100 molecules with the highest docking scores were obtained (deleting 24 identical molecules with different conformations), the results are shown in Table 1, and 932 is the screened SIRT1 inhibitor Tipranavir.
[0040] Table 1 Virtual screening results
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