Abstract
AbstractHighly efficient catalytic one‐pot construction of 3‐acetyl‐4H‐chromene derivatives via a tandem conjugate addition and cyclocondensation using p‐TSA catalyst was achieved within 3–12 hours. The synthesized compounds were submitted to an in silico ADMET screening, to analyze their overall drug score and toxicity risks as well as ligand‐based virtual screening approaches using Swiss Similarity, databases like ZINC, ASINEX, and chEMBL. Molecular docking studies were also performed to understand the possible ligand‐receptor intermolecular interactions as well as their in vitro antibacterial activities were also studied.
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