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Searching For New Lipid-regulators Based On Botanical

Posted on:2009-06-08Degree:MasterType:Thesis
Country:ChinaCandidate:X H LinFull Text:PDF
GTID:2144360272486676Subject:Medicinal chemistry
Abstract/Summary:PDF Full Text Request
Practice has proved it is a very effective way to develop chemicals from the traditional Chinese drugs .High throughput screening(HTC)is one of important means in modern pharmaceutical research and an effective way to solve those problems stated in the development of the traditional Chinese drugs .It can help to study and research chemical compositions of the traditional Chinese drugs and optimize them to discover chemical compounds having new functions, or new chemical compounds having particular pharmacological actions.In this experiment, we gathered the traditional Chinese drugs having the effect of lowering blood lipid. Then, we used the software MOE (version 2004.03; Chemical Computing Group, Montreal, Quebec, Canada)to optimize some chemical compositions of drugs above in the MMFF94 Force Field, saved them as SDF format, and took them as our micromolecule data. Then, we jointed our data with the receptor CETP in the software FlexX. After the suppositional screening, we graded them, and we found a potential compound called resveratrol. According to this structure, on the base of lucubrating the mode of the combination, we utilized the combinatorial chemistry to construct molecular compound deta. Through multiple factor scoring, we screened some compounds which have potential power of combinding with the CETP to synthesis.We synthesized 6 compounds, and after the internal activity experiment, we found some compounds having the hypolipidemicactivity.
Keywords/Search Tags:High-flux drug screening, suppositional screening, synthesize, internal activity experiment
PDF Full Text Request
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