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- W4384698896 abstract "In the present study, 4-substituted bisbenzamide derivatives were designed, synthesized and then characterized. In the present study, by using docking studies with the help of well characterized and structurally linear ligands as molecular probes, the London dG scoring simulations were used to evaluate most interactive binding sites. In the present work 56 4-substituted bisbenzamide derivative ligands are docked in the Human DNA Topoisomerase I enzyme active site. Docking analysis reveal that most active compounds IbL6, IdL4, IcL9, and IaL7 interacted with receptor through H-bond. The careful examination of the binding site shown that, compound IbL6 exhibits H-bond interactions with Human DNA Topoisomerase I active site residues such as Glu356, TGP11, DA113, DG112, ASN352, DT10, Lys425, and Lys374. The compounds IbL6 and IdL4 of the 4-substituted bisbenzamide derivatives are found to be Topo I potent inhibitor and thus potentially considered as anti-cancer agents." @default.
- W4384698896 created "2023-07-20" @default.
- W4384698896 date "2023-07-07" @default.
- W4384698896 modified "2023-09-28" @default.
- W4384698896 title "DESIGN, SYNTHESIS AND MOLECULAR DOCKING STUDIES OF NOVEL 4-SUBSTITUTED BIS-INTERCALATORS AS POSSIBLE ANTICANCER AGENTS" @default.
- W4384698896 doi "https://doi.org/10.48047/ecb/2023.12.si5a.0513" @default.
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