Design and synthesis of novel inhibitors of cell division enzymes CDC25 using molecular modeling

Authors

  • dina bashour Tishreen university
  • Faten Alchab Tishreen University

Abstract

Cell division enzymes A, B, and C are cell cycle regulators and their overexpression,especially CDC25B, is associated with several cancer types, making it suitable for anticancer drugs.

This study aimed to synthesize a potential inhibitor that could disrupt the interaction between CDC25B and its substrate CDK2/Cyclin A, which was previously designed using docking algorithms on the CDC25B crystal structure and after filteration, from the
4-aminobenzoic acid (PABA) nucleus that was subjected to identity tests.It was proposed to synthesize compound PABA34, which met the standards of binding and energy.The conditions for the amine alkylation were tested with a reductive amination reaction and the esterification of the PABA nucleus in an acidic medium, and it was found that the alkylation is preferable to take place in methanol and under reflux for 3 hours, as for the esterification, the best time was 4 hours in the presence of an acidic medium of H2SO4, and thus we accomplished the synthesis of PABA34, one of the candidate compounds.

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Published

2023-05-18

How to Cite

1.
بشور د, الشب ف. Design and synthesis of novel inhibitors of cell division enzymes CDC25 using molecular modeling . Tuj-hlth [Internet]. 2023May18 [cited 2024Nov.24];45(2):293-305. Available from: https://journal.tishreen.edu.sy/index.php/hlthscnc/article/view/14387

Issue

Vol. 45 No. 2 (2023): Tishreen University Journal for Research and Scientific Studies - Health Sciences Series

Section

Master student researches

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