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Molecular Dynamics Simulation Perception Study of the Binding Affinity Performance for Nano Synthesized 3–(4–Chlorophenyl)–5–(4–Fluorophenyl)–4–Phenyl–4,5–Dihydro–1,2,4–Oxadiazole and 3,5–Bis–(4–Chlorophenyl)–4–Phenyl–4,5–Dihydro 1,2,4–Oxadiazole on DNA/RNA in Human Cancer Cells by Biospectroscopic Methods and Techniques

Alireza Heidari, Roya Rahimi, Seyedeh Roghayeh Hosseini

American Journal of Nanomaterials. 2023, 11(1), 10-40 doi:10.12691/ajn-11-1-2
  • Figure 1. Modelling of (a) 3–(4–chlorophenyl)–5–(4–fluorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole and (b) 3,5–bis–(4–chlorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole.
  • Figure 2. Molecular dynamics simulation of (a) 3–(4–chlorophenyl)–5–(4–fluorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole and (b) 3,5–bis–(4–chlorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole
  • Figure 3. Binding affinity performance for Nano synthesized (a) 3–(4–chlorophenyl)–5–(4–fluorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole and (b) 3,5–bis–(4–chlorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole
  • Figure 4. Pharmacokinetics (PK) of (a) 3–(4–chlorophenyl)–5–(4–fluorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole and (b) 3,5–bis–(4–chlorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole
  • Figure 5. Pharmacodynamics of (a) 3–(4–chlorophenyl)–5–(4–fluorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole and (b) 3,5–bis–(4–chlorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole
  • Figure 6. Quantitative Structure Activity Relationship (QSAR) and Quantitative Structure Properties Relationship (QSPR) of (a) 3–(4–chlorophenyl)–5–(4–fluorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole and (b) 3,5–bis–(4–chlorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole
  • Figure 7. Toxico and enzyme kinetics of (a) 3–(4–chlorophenyl)–5–(4–fluorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole and (b) 3,5–bis–(4–chlorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole
  • Figure 8. Effect of (a) 3–(4–chlorophenyl)–5–(4–fluorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole and (b) 3,5–bis–(4–chlorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole on DNA/RNA in human cancer cells
  • Figure 9. Interaction of (a) 3–(4–chlorophenyl)–5–(4–fluorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole and (b) 3,5–bis–(4–chlorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole with DNA/RNA in human cancer cells
  • Figure 10. Raman spectra of DNA/RNA linked to 3–(4–chlorophenyl)–5–(4–fluorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole and 3,5–bis–(4–chlorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole in (a and b) human normal cells and (c and d) human cancer cells