Phytochemical Investigation Of Laggera Pterodonta And Computer Simulation Of Mechanism Of Territrem B And Its Analogues Binding To Acetylcholinesterase

This research work reported the investigation of a traditional Chinese medicine (Laggera pterodonta DC. Benth). About 20 compounds were isolated from this plant, 17 compounds were structurally elucidated by means of spectroscopic, chemical and X-ray diffraction methods. Furthermore, selected compounds were screened for their cytotoxicity against three tumor cell lines. In the second part of this thesis, preliminary docking experiment was performed using CADD (computer-aided drug design) system. (SYBYL on O2+ workstation)Chapter 1 Phytochemical Investigation of Laggera pterodontaDue to its extensive use as a herbal medicine against inflammation in Yunnan Province, China, Laggera pterodonta had been studied by some scientists and its activities against some tumor cell lines had also been assayed. To further the phytochemical investigation of Laggera pterodonta, we did some analysis of less polar extract of Laggera pterodonta, which afforded about twenty compounds.Chapter 2 Preliminary Study about inhibitors of AChETerritrem B (TRB) is a fungal metabolite isolated from Aspergillus terreus shown to be a potential, irreversible inhibitor of AChE. It was reported by Chinese scientists in Taiwan that its irreversible activity against AChE lied in its strong noncovalent binding to AChE. To extend the study about the derivatives of Territrem B and find some interesting potential lead compounds, we studied primitively the binding between the derivatives of Territrem B and AChE, and two binding states of Territrem B to AChE were found.