Synthesis,Docking, and Bioavailability of 2′‐Oxo‐3‐phenylspiro[cyclopropane‐1,3′‐indoline]‐2,2‐dicarbonitriles as Antibacterial Agents In Silico

An efficient method has been developed for the synthesis of N‐alkylated 2′‐oxo‐3‐phenylspirocyclopropane‐1,3′‐indoline]‐2,2‐dicarbonitrile from 3‐chloroindolin‐2‐one and 2‐benzylidenemalononitrile by using triethylamine as a base at room temperature and obtained the products in moderate to good yields. In extension, the scope of the reaction has been investigated by stepwise and one‐pot methods. Furthermore, in silico antibacterial activity was carried out in order to understand possible binding modes of novel derivatives with the active site of DNA gyrase A enzyme, and the results were well complemented. Additionally, absorption, distribution, metabolism, and excretion properties of compounds have shown drug likeness with good oral absorption and moderate blood–brain barrier permeability.