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Abstract : Molecular docking simulation of five (5) compounds synthesized where they are derivatives bearing 1,2,4,triazole moietiy were carried out so as to evaluate their theoretical binding affinities, targeting Overian cancer and also to low scale for other types and the enzyme was Human DNA Topisomerase I (70 KDA) (PDB code:1K4T). The chemical structure of the molecules was accurately drawn using ChemDraw Professional 12.0 software. The designed compounds were checked using Molecular Operating environment software by Checking S.score and Rmsd. The theoretically designed compounds gave good binding interactions with the receptor active pocket and had promising activity with these proteins. Va,Vd,Ve yeilded the highst scores and binding similarity.

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