Browsing by Author "Abdalla Khalil, Nadia"

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    Design, Synthesis, and Antitumor Activity of Novel 5-Pyridyl-1,3,4- oxadiazole Derivatives against the Breast Cancer Cell Line MCF-7
    (Biol. Pharm. Bull, 2015) Abdalla Khalil, Nadia; Hussein Emam, Soha
    Various 1,3,4-oxadiazole-2-thiol derivatives have considerable potential in the field of antitumor activity. On the basis of the structure of the highly active reported oxadiazole analogues, 36 novel compounds were designed. Their molecular transport properties were predicted using a computer-aided program, and they were then synthesized and tested for anticancer activity against the breast cancer cell line MCF-7. Most of the tested compounds showed excellent to potent cytotoxic activity. Docking studies were carried out to examine the possibilities of the target compounds to become lead compounds in the future after more biological investigations. Compounds 18 and 22 were more active than the reference drug with IC50 values of 0.010 μM and 0.012 μM, respectively, and binding energy scores of 10.32 and 10.25, respectively.
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    Synthesis and biological evaluation of new pyrazolone–pyridazine conjugates as anti-inflammatory and analgesic agents
    (ELSEVIER, 2014) Abdalla Khalil, Nadia; Mohamed Ahmed, Eman; Omar Mohamed, Khaled; Mohammed Nissan, Yassin; Abo-Bakr Zaitone, Sawsan
    A new series of pyrazolone–pyridazine conjugates 3 and 4a–l were synthesized and characterized by spectroscopic means and elemental analyses. All compounds were tested in vivo for their anti-inflammatory and analgesic properties against diclofenac, as reference compound. The synthesized compounds were also evaluated for their ability to inhibit the production of certain inflammatory cytokines such as TNF-α and IL-6 in serum samples. The ulcerogenic potential of the synthesized compounds was also determined. IC50 values for inhibition of COX-1 and COX-2 enzymes were investigated in vitro for the most active candidates. Molecular docking was performed on the active site of COX-2 to predict their mode of binding to the amino acids. Among the synthesized derivatives, compounds 4c and 4e showed good analgesic and anti-inflammatory activities with lower ulcer index than the reference drug