Facile and Novel Synthetic Approach, Molecular docking, Molecular dynamics, and Drug‐Likeness Evaluation of 9‐substituted Acridine Congeners as Dual Anticancer and Antimicrobial Agents

In the present study, numerous acridine congeners A1‐A20 were synthesized via aromatic nucleophilic substitution (SNAr) reaction of 9‐chloroacridine with carbonyl hydrazides, amines, or phenolic derivatives depending upon facile, novel, and eco‐friendly approaches (Microwave and ultrasonication assisted synthesis). The newly compounds’ structures were explicated utilizing spectroscopic methods. The title products were assessed for their antimicrobial, antioxidant, and antiproliferative efficacies utilizing numerous assays. Auspiciously, the investigated compounds mainstream revealed auspicious antibacterial and anticancer efficacies. Thereafter, the investigated compounds’ expected mode of action was debated via employing an array of insilico studies. Compounds A2 and A3 were the most promising antimicrobial agent, while compounds A2, A5, and A7 revealed the most cytotoxic efficiencies. Accordingly, RMSD, RMSF, Rg, and SASA analyzes of compounds A2 and A3 were performed, and MMPBSA was calculated. Lastly, the ADMET (absorption, distribution, metabolism, excretion, and toxicity) analyses of the novel acridine derivatives were investigated. The tested compounds’ existing screening results afford an inspiring basis leading to developing new compelling antimicrobial and anti‐cancer agents based on the acridine scaffold.