Page 56 - TD-3-1
P. 56

Tumor Discovery                                                Mechanism of Buddleja officinalis against ESCC




            Table 1. Main active ingredients in BO
             No.   ID       Ingredient     Molecular   Oral bioavailability (%)  Drug likeness  Chemical structure
                                            weight
            1     MOL001689  Acacetin       284.26         34.97            0.24








            2     MOL001790  Linarin        592.5          39.84            0.71








            3     MOL000006  Luteolin       286.24         36.16            0.25








            4     MOL006673  Butyrospermyl   468.84        46.04            0.83
                            acetate






            5     MOL000004  Procyanidin B1  578.5         67.87            0.66










            6     MOL005789  Neobyakangelicol  316.33      36.18            0.31









            Abbreviation: BO: Buddleja officinalis.

            luteolin, butyrospermyl acetate, and neobyakangelicol   maps of the binding of the above six components to
            increased sequentially, with linarin expressing a strong   AKT1.
            affinity with AKT1 and engaging in the most stable
            binding with AKT1. It is speculated that linarin may be   4. Discussion
            the most suitable natural component of AKT1 in BO.   The mechanism of TCM treatment is complex, involving
            Figure 7 shows three-dimensional and two-dimensional   many  components  and  targets.  It  is  a  challenge  in


            Volume 3 Issue 1 (2024)                         5                          https://doi.org/10.36922/td.2312
   51   52   53   54   55   56   57   58   59   60   61