Exploring the Effects of Chirality of 5-methyl-5-[4-(4-oxo-3H-quinazolin-2-yl) phenyl]imidazolidine-2,4-dione and its Derivatives on the Oncological Target Tankyrase 2. Atomistic Insights.

Xylia Quintina PetersPreantha PoonanElliasu Salifu YakubuMohamed Issa AlahmdiNader E Abo-DyaMahmoud Soliman

Published in: Current pharmaceutical biotechnology (2023)

Overall, 5-methyl-5-[4-(4-oxo-3H-quinazolin-2-yl) phenyl] imidazolidine-2,4-dione and its derivatives showed their inhibitory prowess when bound to the TNKS2 target via in silico assessment. Thus, results from this study offer insight into chirality and the possibility of adjustments of the enantiomer ratio to promote greater inhibitory results. These results could also offer insight into lead optimization to enhance inhibitory effects.

Keyphrases

molecular docking
molecular dynamics simulations
radical prostatectomy
rectal cancer
structure activity relationship
prostate cancer
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