Description:
<jats:p>A novel series of fluoro/methoxy indole analogues 6 was synthesized and the final targets were
confirmed by IR, 1H & 13C NMR and mass spectral analysis. Novel 3-substituted indole derivatives
estimate for their antibacterial, antioxidant activities particularly the parent core combined with
benzamides ring significantly. From antibacterial activities, compounds 6c, 6e and 6b show the highest
bacterial activity against S. epidermidis, S. aureus, E. coli, with zone of inhibition 34, 30, 28 mm,
respectively. Novel fluoroindole derivatives 6c, 6b, 6i shows an excellent antioxidant activity with %
of inhibition 150.12, 139.04, 137.08 mmol/mL, respectively. The calculations for ligand-protein flexible
of crystal structure of C(30) carotenoid dehydrosqualene synthase from S. aureus complexed with
bisphosphonate BPH-700 (2ZCS). Among the designed compounds 6c exhibited highest hydrogen
bonding interactions 2.06 Å, 1.85 Å with amino acids Asp27, Lys273 and binding energy -6.38 kcal/
mol, respectively. Fluoroindoles 6i, 6e and 6f shows highest ΔG = -7.90, -7.66, -7.47 kcal/mol with
dissociation constants 10.32, 21.77, 22.68 μM and amino acid Lys273 interactions.</jats:p>