COMPUTER-AIDED DESIGN, SYNTHESIS AND PHARMACOLOGICAL EVALUATION OF ETHYLENE DIAMINE COPPER

摘要

A novel divalent macrocyclic copper (II) complex was designed by computational technique i.e. PyRx 0.8 which uses autodock vina based scoring function. Molecular docking studies were done estrogen receptor a and estrogen receptor �. The divalent copper was directly produced by the template method with a combination of substituted carbohydrazone; ethylene diamine and copper (II) salt. The divalent copper (II) complex was characterized by elemental analysis, IR, HNMR, mass and electronic spectra. The magnetic moments and electronic spectral studies suggested distorted octahedral geometry for copper complex. The Cytotoxic activity against human Breast Cancer Cell line MCF-7, antibacterial and antioxidant activities were evaluated for synthesized compound. The standard anti-breast cancer drug Tamoxifen was used as a positive control. The synthesized compound was screened for in vitro antibacterial activity using Disc Diffusion method against two strains each of gram negative and gram positive bacteria. Tetracycline was used as positive control. In-vitro antioxidant activity, copper complexes was screened using the DPPH scavenging assay. Copper complex showed potent anticancer, antibacterial and antioxidant activity.