近期,北京大学药学院天然药物及仿生药物全国重点实验室叶敏教授团队在JACS杂志发表题为《Elucidating the Biosynthetic Pathway and Mechanisms of Retrochalcones》的研究论文。该研究揭示了醛酮还原酶GinKR1参与反式查耳酮echinati...近期,北京大学药学院天然药物及仿生药物全国重点实验室叶敏教授团队在JACS杂志发表题为《Elucidating the Biosynthetic Pathway and Mechanisms of Retrochalcones》的研究论文。该研究揭示了醛酮还原酶GinKR1参与反式查耳酮echinatin生物合成的分子机制,并解析了echinatin的完整生物合成途径。展开更多
The present pharmacochemical and modelling work focused on a benzimidazolyl-chalcone series. These previously synthesized compounds were evaluated in vitro for their anticancer activities against a panel of seven huma...The present pharmacochemical and modelling work focused on a benzimidazolyl-chalcone series. These previously synthesized compounds were evaluated in vitro for their anticancer activities against a panel of seven human cancer cell lines and normal fibroblasts. Among the new benzimidazole-supported chalcones, nine (9) compounds (compounds 1 - 4, 6 - 8 and compounds 10 and 11) showed promising anticancer activities with IC<sub>50</sub>s ranging from 0.83 to 2.58 μM. Compounds 2 and 6 with IC<sub>50</sub>s of 0.83 and 0.86 μM, respectively, were shown to be potent inhibitors of HCT-116 colon cancer cell proliferation. It was therefore necessary, for a development of this new series of chalcones, to establish through a QSAR study, their quantum descriptors according to the DFT calculation method and following the B3LYP/6-31+G (d,p) theory. These descriptive and predictive studies focused on the colon HCT 116 cell line which was found to be more sensitive to the anticancer action of our benzimidazolyl-retrochalcones. QSAR study showed that the electronic energy (E<sub>elec</sub>), lipophilicity (logP), chemical softness (S) and chemical hardness (η) of benzimidazolyl-retrochalcones play an important role in inhibiting cancer cell proliferation.展开更多
文摘近期,北京大学药学院天然药物及仿生药物全国重点实验室叶敏教授团队在JACS杂志发表题为《Elucidating the Biosynthetic Pathway and Mechanisms of Retrochalcones》的研究论文。该研究揭示了醛酮还原酶GinKR1参与反式查耳酮echinatin生物合成的分子机制,并解析了echinatin的完整生物合成途径。
文摘The present pharmacochemical and modelling work focused on a benzimidazolyl-chalcone series. These previously synthesized compounds were evaluated in vitro for their anticancer activities against a panel of seven human cancer cell lines and normal fibroblasts. Among the new benzimidazole-supported chalcones, nine (9) compounds (compounds 1 - 4, 6 - 8 and compounds 10 and 11) showed promising anticancer activities with IC<sub>50</sub>s ranging from 0.83 to 2.58 μM. Compounds 2 and 6 with IC<sub>50</sub>s of 0.83 and 0.86 μM, respectively, were shown to be potent inhibitors of HCT-116 colon cancer cell proliferation. It was therefore necessary, for a development of this new series of chalcones, to establish through a QSAR study, their quantum descriptors according to the DFT calculation method and following the B3LYP/6-31+G (d,p) theory. These descriptive and predictive studies focused on the colon HCT 116 cell line which was found to be more sensitive to the anticancer action of our benzimidazolyl-retrochalcones. QSAR study showed that the electronic energy (E<sub>elec</sub>), lipophilicity (logP), chemical softness (S) and chemical hardness (η) of benzimidazolyl-retrochalcones play an important role in inhibiting cancer cell proliferation.
