# Synthesis, Molecular Docking, and Biological Studies of New Naphthalene‐1,4‐Dione‐Linked Phenylpiperazine and Thioether

## TL;DR

This study explores new quinone compounds with potential as anticancer and antimicrobial drugs, showing strong activity against cancer cells and microbes.

## Contribution

New quinone derivatives were synthesized and shown to have potent antiproliferative and antimicrobial effects without significant cytotoxicity.

## Key findings

- Compound 10 showed strong antiproliferative effects on PC-3 cells without cytotoxicity to NIH/3T3 cells.
- Compounds 5 and 8 exhibited antimicrobial activity against bacteria and fungi.
- Molecular docking studies were performed to identify potential targets for the tested cancer cell lines.

## Abstract

Quinones are an important family of chemical compounds that are used in the development of anticancer drugs. Due to the anticancer properties of quinones, this study aims to investigate the antiproliferative and antimicrobial activities of newly substituted quinone derivatives synthesized through reactions with various nucleophiles (such as thiols and amines). The antiproliferative effects of the synthesized compounds on human cancer cell lines were screened at a concentration of 10 µM using the 3‐(4,5‐dimethylthiazol‐2‐yl)‐2,5‐diphenyltetrazolium bromide (MTT) assay. The cytotoxic effects of the synthesized compounds were also assessed in NIH/3T3 cells. Target molecules for the cancer cell lines A549, PC‐3, and MCF‐7 employed in this study were identified in light of the literature in order to perform molecular docking studies based on the MTT experiment results. Moreover, the antimicrobial effects of newly synthesized quinone derivatives were also investigated. Among the synthesized compounds, especially compound 10 had strong antiproliferative effects on a variety of cancer cell lines, most notably PC‐3, while having no cytotoxicity toward NIH/3T3 cells. Furthermore, compounds 5 and 8 exhibited antimicrobial activity against both bacteria and fungi. Our results indicate that the newly synthesized quinone molecules may function as therapeutic agents for the treatment of cancer and infectious diseases.

Synthesis, Molecular Docking, and Biological Studies of New Naphthalene‐1,4‐dione Linked Phenylpiperazine and Thioether.