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The present study investigates the development of distinct UV-A and UV-B radiation filtering materials through the introduction of a heterocyclic bischalcone derivative [(3,5-bis{[4-(methylsulfanyl)phenyl]methylidene}piperidin-4-one] ( B1 ) into the matrix of PVA/Piscean collagen blend films (1:1) prepared through the solution casting method and characterized. The dopant concentration varied from 0.25 to 4%. The scanning electron microscopy images showed the rough surface due to the uniform dispersion of dopant B1 . The addition of different concentrations of B1 altered the mechanical strength with a proportional increase in Young’s modulus (146–317 MPa), tensile strength (23.3–39.21 MPa), and decrease in its elongation at break (158.8–105.2%). As the dopant B1 belongs to the bischalcone class of compounds which absorb in the UV–vis region (370 nm λ max ) due to the α, β unsaturated keto group, it was selected for doping. Dopant concentration-dependent increase in density was observed in films (31–162 mg/cm 3 ). The bathochromic shift in UV absorption from 370 to 390 nm for λ max as well as hyperchromism was evidenced with proportional increase in the concentration of B1 , indicating its capacity to block UV rays. On determining the UV filtering ability for all the prepared films, the one with 4% dopant showed a higher sun protection factor (SPF) with a value of 27.53 and ultraviolet protection factor (UPF) with a value of 58.23. In addition, the degradation of supercoiled PBR322 DNA on UV irradiation was effectively inhibited by these films with a dopant concentration of 0.5–4.0%, which might cause less harm to the skin. The inferences of the experiments would indicate the use of these water-insoluble films as UV blocking potential materials with a merit of SPF and UPF characteristics.

Background: The role of α, β unsaturated propenone derivatives has attracted the chemists for its biological importance. An attempt is made to know the interaction with breast and skin cancer cell lines along with molecular docking studies. Objective: To synthesize and characterize 4-ethoxychalcones for testing towards breast and skin cancer targets. Method: A series of chalcone analogues starting from 4-ethoxyacetophenone and substituted aromatic aldehydes were synthesized, well characterized and evaluated for their in vitro anticancer activities against human breast cancer (MDA-MB-231) and human metastatic melanoma (A-375) cell lines by MTT assay. Docking simulation was performed to know the drug-receptor interaction of chalcone scaffold on the active site of target inhibitor bound cytochrome P450 family oxidoreductase for breast cancer and pirin inhibiting target for skin cancer respectively. Result: After performing cytotoxic evaluation, it was observed that the compounds having substitution at the para position showed better results compared to ortho and meta positions for both the cell lines. Molecular docking studies revealed different types of interactions with selected oxidoreductase and pirin inhibiting targets. Ligand–protein interactions and morphological changes are monitored by molecular dynamics. Conclusion: The presence of electron withdrawing and donating groups on ring B marginally affected IC50 and docking score. The stability of the binding mode of the ligands having most inhibitory efficiency for compounds 8 and 10 predicted by docking studies were confirmed by molecular dynamics simulation. Evaluated pharmacokinetic parameters were found to be within the acceptable range. Further molecular dynamics study provided necessary information.