Design and Synthesis of Novel C4‐Linked Substituted 2H‐Chromen‐2‐one‐hypoxanthine Hybrids as Potential Antimicrobial Agents: An Approach to Molecular Docking Studies

We present here design and synthesis of very efficient, high‐yielded and simple approach of a series of C4‐linked coumarin–hypoxanthine pharmacophores 1(a–j) with moderate to excellent in vitro antimicrobial activity. According to earlier studies, potential modification at C4‐position of coumarin ring provided excellent bioactive molecules. All the titled compounds were characterized by spectroscopic and elemental analyses. Titled compounds have been developed via systematic tuning of coumarin ring substitutions, which are prepared from the well‐known Pechmann condensation reaction. The addition of a pendent nucleobase in hypoxanthine group improved the in vitro antimicrobial activity. Computational studies were also mimicking the potent biomolecules. A good pharmacokinetic profile is suggested by theoretical calculation of absorption, distribution, metabolism, and excretion properties. Therefore, synthesis of these titled compounds provided an insight towards better antimicrobial agents.