The new novel polymers nanocomposites based modified chitosan (CS) blending with polyvinyl alcohol (PVA) and coated gold or silver nanoparticles (AuNPs), AgNPs) were synthesized from many sequence reactions as presented in (Scheme1, 2 and 3). By utilizing 1H-NMR spectroscopy, FTIR, and Field Emission Scanning electron microscope , the synthesized compounds have been identified. Molecular docking is studied, where operations are used to predict the binding status of compounds with the enzyme and to calculate the free energy (ΔG) of the compounds prepared. Also, the antibacterial activity regarding the synthesized compounds against two resistant pathogenic bacteria (G+) S. aureus and E. coli (G-) was examined in vitro compare with standard antibiotic (Amoxicillin). The cytotoxic effect of novel polymers nanocomposites against Human Lung Adenocarcinoma Cells line (A549) using MTT assay was used to estimate and compare with normal cell line Rat Embryonic Fibroblasts (REF), the (modified chitosan/PVA/Au) exhibited very excellent inhibition rate. Finally, the Acute Toxicity Test of these nanocomposities were examined showed non-toxicity of these nanocomposities and histological examination of internal organs: liver, lung and kidney related to treated group showed no changes but similar those of control group.