Showing papers by "Wannian Zhang published in 2006"
TL;DR: In vitro antIFungal assay revealed that the antifungal activities of these novel azoles were greatly improved, which confirmed the reliability of the model from molecular modeling.
Abstract: In a continuing effort to develop highly potent azole antifungal agents, the three-dimensional quantitative structure-activity relationship methods, CoMFA and CoMSIA, were applied using a set of novel azole antifungal compounds. The binding mode of the compounds at the active site of lanosterol 14alpha-demethylase was further explored using the flexible docking method. Various hydrophobic, van der Waals, pi-pi stacking, and hydrogen bonding interactions were observed between the azoles and the enzyme. Based on results from the molecular modeling, a receptor-based pharmacophore model was established to guide the rational optimization of the azole antifungal agents. Thus, a total of 57 novel azoles were designed and synthesized by a three-step optimization process. In vitro antifungal assay revealed that the antifungal activities of these novel azoles were greatly improved, which confirmed the reliability of the model from molecular modeling.
150 citations
TL;DR: Two new phenolic constituents, daphnenone and daphneone, were isolated from the stem bark of Daphne odora Thunb.
26 citations
TL;DR: Two new xanthones, 1,6-dihydroxyisojacereubin-5-O-β-D-glucoside and 3,6,7-tri-hydroxy-1-methoxy-xanthone, were isolated from Hypericum japonicum using HREIMS, EIMs, UV, IR, 1D-, and 2D-NMR analyses.
9 citations
Journal Article•
TL;DR: In this paper, 13 homocamptothecin derivatives were synthesized and in vitro antitumor activities were evaluated by the standard MTT method, and the results showed that some of the derivatives had higher antitumour activity than topotecan.
1 citations