Thesis (M.Sc.) - Cairo University - Faculty of Pharmacy - Department of Pharmacognosy

Inflammation is one of the main causes of the pathogenesis of several chronic diseases, which make the discovery of new safe and effective medicine an urgent need, this thesis aims at the access the anti-inflammatory mechanism of traditional medicine using virtual screening, especially those whose ability to inhibit the p38 mitogen activate protein kinase which play an important role in pathogenesis of inflammation. This thesis is divided to 4 chapters Chapter I: Pathogenesis of inflammation. Studying the molecular pathway of inflammation, raised our attention to the role of p38 MAP Kinase the development of inflammatory diseases, which means that inhibiting this enzyme could help in developing effective anti-inflammatory drugs. Chapter II: Virtual screening of traditional medicine database. In this chapter, Traditional medicine database containing approximately 60000 compounds was subjected to ADME Filtration, which subsequently led to the reduction of compounds number to 5000. High through-put molecular docking was used to identify the best 100 compounds based on their ability to bind with the enzyme, the virtual screening revealed that these compounds were chemically classified as Diarylheptanoids, Flavonoids and anthraquinones. Nine representative compounds were selected for isolation from their respective resources, after consulting different database, these compounds were found to be in lesser galangal rhizomes, Turmeric rhizomes, Rhubarb rhizomes and citrus fruit. Chapter III: Isolation of the active compounds In this chapter, we addressed the isolation of the compounds under investigation using different chromatographic methods, their structure elucidation was done using spectroscopic methods in addition to comparison to published data, and the compounds were 1-Galangin 2- Kaempferide 3- (7-(4''- hydroxy-3''-methoxyphenyl)-1-phenylhept-4-en-3-one). 4- (5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenylheptan-3-one) 5- Isorhamnetin. 6-Curcumin 7-Physcion 8-Chrysophanol 9-Hesperidin

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