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Delta University Scientific Journal

Delta University Scientific Journal

Arabic Title

دراسة بالحاسوب لمثبطات جديدة لانزيم التلوميريز

Impact Factor

positive impact

Abstract

Many studies have demonstrated that treatment with NSAIDs reduces the incidence and mortality of a wide range of tumors. The anticarcinogenic effects of NSAIDs are primarily attributed to their COX-2 inhibitory activity. However, increasing evidence suggests the involvement of molecular targets other than COX in the anti-proliferative effects and induction of apoptosis of selective COX-2 inhibitors such as telomerase enzyme. Telomerase has been found to be activated in more than 80% of human cancers and, therefore, can be considered as a potential marker for tumorigenesis. In this work, the drug-likeness of 14 reported 5,5-diphenylimidazolidine-2,4-diones, as potential COX-2 inhibitors, was calculated using Molsoft program and 10 of the tested compounds showed acceptable drug-likeness scores.Compound 3 which showed good COX-2 inhibitory activity is not expected to show acceptable pharmacokinetic profile according to the low drug-likeness score obtained (-0.11).However, the less potent compounds 10 and 13 showed the best drug-likeness scores 0.70 and 0.86, respectively.Docking of compound 13 into telomerase enzyme active site, showed three strong hydrogen bonds with the conserved aminoacids (LYS 406, & LYS 189 and ASP 343) and hence, can provide proper telomerase inhibition and consequently promising antitumor activity.

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